butyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: butyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: butyl 4-(2-chlorophenyl)-6-methyl-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(2-chlorophenyl)-6-methyl-2-(2-pyridinyl)-1,4-dihydropyrimidine-5-carboxylic acid butyl ester IUPAC Name: butyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(2-chlorophenyl)-6-methyl-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylic acid butyl ester Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2Cl)C3=CC=CC=N3)C

Isomeric SMILES

CCCCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2Cl)C3=CC=CC=N3)C

InChI

InChI=1S/C21H22ClN3O2/c1-3-4-13-27-21(26)18-14(2)24-20(17-11-7-8-12-23-17)25-19(18)15-9-5-6-10-16(15)22/h5-12,19H,3-4,13H2,1-2H3,(H,24,25)