ethyl 4-(4-methoxyphenyl)-6-methyl-2-(phenylmethylsulfanyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-(phenylmethylsulfanyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-methoxyphenyl)-6-methyl-2-(phenylmethylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=C(C=C2)OC)SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC=C(C=C2)OC)SCC3=CC=CC=C3)C

InChI

InChI=1S/C22H24N2O3S/c1-4-27-21(25)19-15(2)23-22(28-14-16-8-6-5-7-9-16)24-20(19)17-10-12-18(26-3)13-11-17/h5-13,20H,4,14H2,1-3H3,(H,23,24)