Basic information
- Standard SMILES
CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)c2c(nc[nH]c2=O)N1- InChIKey
UFWRFPWRBMUIIX-UHFFFAOYSA-N- Molecular formula
- C18H18N4O5
- Average molar mass
- 370.4 g/mol
Names & identifiers
- Preferred name
- (+/-)-3,4,5,8-Tetrahydro-7-methyl-5-(3-nitrophenyl)-4-oxo-pyrido[2,3-d]-pyrimidine-6-carboxylic acid isopropyl ester
- IUPAC
- propan-2-yl 7-methyl-5-(3-nitrophenyl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
Names & synonyms
SCHEMBL10684004UFWRFPWRBMUIIX-UHFFFAOYSA-N(+/-)-3,4,5,8-tetrahydro-7-methyl-5-(3-nitrophenyl)-4-oxo-pyrido[2,3-d]-pyrimidine-6-carboxylic acid isopropyl ester
Database identifiers
- PubChem CID
- 136393698
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 762
Related reactions
3 records
Compound notes
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