OTD
Summary
Name: | 2-OXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4,6-DICARBOXYLIC ACID |
Synonyms: | HDDP |
Formula: | C6 H6 N2 O5 |
Formal charge: | 0 |
Formula weight: | 186.122 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (4R)-2-oxo-1,2,3,4-tetrahydropyrimidine-4,6-dicarboxylic acid |
OpenEye OEToolkits | 1.5.0 | (4R)-2-oxo-3,4-dihydro-1H-pyrimidine-4,6-dicarboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C1C=C(C(=O)O)NC(=O)N1 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@@H]1NC(=O)NC(=C1)C(O)=O |
SMILES | CACTVS | 3.341 | OC(=O)[CH]1NC(=O)NC(=C1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C(NC(=O)N[C@H]1C(=O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(NC(=O)NC1C(=O)O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C6H6N2O5/c9-4(10)2-1-3(5(11)12)8-6(13)7-2/h1-2H,(H,9,10)(H,11,12)(H2,7,8,13)/t2-/m1/s1 |
InChIKey | InChI | 1.03 | WVCOMWPLPGATRR-UWTATZPHSA-N |