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Basic information
- Standard SMILES
COC(=O)c1c[nH]c2c(=O)[nH]cnc12- InChIKey
CWFVLWYOKBIVPG-UHFFFAOYSA-N- Molecular formula
- C8H7N3O3
- Average molar mass
- 193.16 g/mol
- Monoisotopic mass
- 193.04874109
Names & identifiers
- Preferred name
- methyl 4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
- IUPAC
- methyl 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate
Names & synonyms
779326-74-8methyl 4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate4,5-dihydro-4-oxo-3H-Pyrrolo[3,2-d]pyrimidine-7-carboxylic acid methyl ester3H-Pyrrolo[3,2-d]pyrimidine-7-carboxylic acid, 4,5-dihydro-4-oxo-, methyl esterSCHEMBL4219653CWFVLWYOKBIVPG-UHFFFAOYSA-NDB-357666Methyl 4-hydroxy-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylatemethyl4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 135409708
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 302
Related reactions
1 records
Compound notes
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