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

Systemtic Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-methoxyphenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(4-methoxyphenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S/c1-5-21-15(19)13-10(2)17-16(22-4)18-14(13)11-6-8-12(20-3)9-7-11/h6-9,14H,5H2,1-4H3,(H,17,18)