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

Systemtic Name: methyl 4-(2-chlorophenyl)-6-(3-methoxy-3-oxidanylidene-propyl)-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-(2-chlorophenyl)-6-(3-methoxy-3-oxo-propyl)-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(2-chlorophenyl)-6-(3-methoxy-3-oxopropyl)-2-(2-pyridinyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-chlorophenyl)-6-(3-methoxy-3-oxopropyl)-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(2-chlorophenyl)-6-(3-keto-3-methoxy-propyl)-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C(N=C(N1)C2=CC=CC=N2)C3=CC=CC=C3Cl)C(=O)OC

Isomeric SMILES

COC(=O)CCC1=C(C(N=C(N1)C2=CC=CC=N2)C3=CC=CC=C3Cl)C(=O)OC

InChI

InChI=1S/C21H20ClN3O4/c1-28-17(26)11-10-15-18(21(27)29-2)19(13-7-3-4-8-14(13)22)25-20(24-15)16-9-5-6-12-23-16/h3-9,12,19H,10-11H2,1-2H3,(H,24,25)