hexyl 8-ethyl-5-oxidanylidene-2-pyridin-4-yl-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: hexyl 8-ethyl-5-oxidanylidene-2-pyridin-4-yl-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: hexyl 8-ethyl-5-oxo-2-(4-pyridyl)pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 8-ethyl-5-oxo-2-pyridin-4-yl-6-pyrido[2,3-d]pyrimidinecarboxylic acid hexyl ester IUPAC Name: hexyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 8-ethyl-5-keto-2-(4-pyridyl)pyrido[2,3-d]pyrimidine-6-carboxylic acid hexyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CN(C2=NC(=NC=C2C1=O)C3=CC=NC=C3)CC

Isomeric SMILES

CCCCCCOC(=O)C1=CN(C2=NC(=NC=C2C1=O)C3=CC=NC=C3)CC

InChI

InChI=1S/C21H24N4O3/c1-3-5-6-7-12-28-21(27)17-14-25(4-2)20-16(18(17)26)13-23-19(24-20)15-8-10-22-11-9-15/h8-11,13-14H,3-7,12H2,1-2H3