ethyl 4-[2-(2-chlorophenyl)sulfanylphenyl]-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-(2-chlorophenyl)sulfanylphenyl]-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(2-chlorophenyl)sulfanylphenyl]-6-methyl-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-[2-[(2-chlorophenyl)thio]phenyl]-6-methyl-2-(2-pyridinyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-chlorophenyl)sulfanylphenyl]-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-[2-[(2-chlorophenyl)thio]phenyl]-6-methyl-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H22ClN3O2S MolecularWeight: 463.97908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2SC3=CC=CC=C3Cl)C4=CC=CC=N4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2SC3=CC=CC=C3Cl)C4=CC=CC=N4)C

InChI

InChI=1S/C25H22ClN3O2S/c1-3-31-25(30)22-16(2)28-24(19-12-8-9-15-27-19)29-23(22)17-10-4-6-13-20(17)32-21-14-7-5-11-18(21)26/h4-15,23H,3H2,1-2H3,(H,28,29)