ethyl 2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-[(2-chlorophenyl)methylthio]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-[(2-chlorobenzyl)thio]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SCC3=CC=CC=C3Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SCC3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H21ClN2O2S/c1-3-26-20(25)18-14(2)23-21(24-19(18)15-9-5-4-6-10-15)27-13-16-11-7-8-12-17(16)22/h4-12,19H,3,13H2,1-2H3,(H,23,24)