methyl 4-(2-chlorophenyl)-6-[3-(cyclopentylamino)-3-oxidanylidene-propyl]-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-(2-chlorophenyl)-6-[3-(cyclopentylamino)-3-oxidanylidene-propyl]-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-(2-chlorophenyl)-6-[3-(cyclopentylamino)-3-oxo-propyl]-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(2-chlorophenyl)-6-[3-(cyclopentylamino)-3-oxopropyl]-2-(2-pyridinyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-chlorophenyl)-6-[3-(cyclopentylamino)-3-oxopropyl]-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(2-chlorophenyl)-6-[3-(cyclopentylamino)-3-keto-propyl]-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C25H27ClN4O3 MolecularWeight: 466.95988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=NC1C2=CC=CC=C2Cl)C3=CC=CC=N3)CCC(=O)NC4CCCC4

Isomeric SMILES

COC(=O)C1=C(NC(=NC1C2=CC=CC=C2Cl)C3=CC=CC=N3)CCC(=O)NC4CCCC4

InChI

InChI=1S/C25H27ClN4O3/c1-33-25(32)22-19(13-14-21(31)28-16-8-2-3-9-16)29-24(20-12-6-7-15-27-20)30-23(22)17-10-4-5-11-18(17)26/h4-7,10-12,15-16,23H,2-3,8-9,13-14H2,1H3,(H,28,31)(H,29,30)