Basic information
- Standard SMILES
CCOC(=O)c1ccc(-c2cc3nc[nH]c(=O)c3[nH]2)cc1- InChIKey
IBBFIKLXBOADMY-UHFFFAOYSA-N- Molecular formula
- C15H13N3O3
- Average molar mass
- 283.28 g/mol
Names & identifiers
- Preferred name
- ethyl 4-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-6-yl)benzoate
- IUPAC
- ethyl 4-(4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-6-yl)benzoate
Names & synonyms
SCHEMBL2748879IBBFIKLXBOADMY-UHFFFAOYSA-Nethyl 4-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-6-yl)benzoate
Database identifiers
- PubChem CID
- 136354574
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 443
Related reactions
4 records
Compound notes
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