967
  -OEChem-04260609202D

 15 15  0     0  0  0  0  0  0999 V2000
    2.5369   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 11 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
967

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjOAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQCAAACAiBgAABCALAAgCIACXSWACAAAAAAgAACACAAECCBAAAACAAEAAIFSIQEcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,6-dioxo-3H-pyrimidine-4-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2,6-dioxo-3H-pyrimidine-4-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
2,6-dioxo-3H-pyrimidine-4-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,6-dioxo-3H-pyrimidine-4-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,6-dioxo-3H-pyrimidine-4-carboxylic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)/f/h6-7,9H

> <PUBCHEM_CACTVS_XLOGP>
-1.264

> <PUBCHEM_CACTVS_EXACT_MASS>
156.017

> <PUBCHEM_OPENEYE_MF>
C5H4N2O4

> <PUBCHEM_OPENEYE_MW>
156.096

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(NC(=O)NC1=O)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(NC(=O)NC1=O)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
95.5

> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
156.017

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
6

> <PUBCHEM_SUBSTANCE_ID>
149086

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000065861

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidecarboxylic acid
1,2,3,6-Tetrahydro-2,6-dioxopyrimidin-4-carbonsaeure
2,6-Dihydroxy-4-pyrimidinecarboxylic acid
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-
6-Carboxyuracil
6-Uracilcarboxylic acid
65-86-1
6784-70-9
AI3-25478
Acide orotique [French]
Acide orotique [INN-French]
Acido orotico [INN-Spanish]
Acido orotico [Spanish]
Acidum oroticum [INN-Latin]
Acidum oroticum [Latin]
Animal galactose factor
CCRIS 3929
EINECS 200-619-8
HSDB 6377
Molkensaeure
NSC 9791
OROTIC ACID
Orodin
Oropur
Orotic acid (VAN) (8CI)
Orotic acid [INN:JAN]
Orotonin
Orotonsan
Orotsaeure [German]
Oroturic
Orotyl
Uracil-6-carbosaeure
Vitamin B13
Whey factor

> <PUBCHEM_GENERIC_REGISTRY_NAME>
65-86-1
6784-70-9

> <PUBCHEM_XREF_EXT_ID>
000065861

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=000065861

> <PUBCHEM_CID_ASSOCIATIONS>
967  1

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
5  8  8
5  9  8
6  10  8
6  8  8
9  11  8

$$$$