6-methyl-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide

Systemtic Name: 6-methyl-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide Openeye Name: 6-methyl-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide CAS Name: 6-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]thio]-4-phenyl-1,4-dihydropyrimidine-5-carboxamide IUPAC Name: 6-methyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC(C(=C(N2)C)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC(C(=C(N2)C)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-13-7-6-10-16(11-13)24-17(26)12-28-21-23-14(2)18(20(22)27)19(25-21)15-8-4-3-5-9-15/h3-11,19H,12H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26)