2-(cyanomethylsulfanyl)-4-(2,4-dimethoxyphenyl)-6-methyl-N-phenyl-1,4-dihydropyrimidine-5-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-4-(2,4-dimethoxyphenyl)-6-methyl-N-phenyl-1,4-dihydropyrimidine-5-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-4-(2,4-dimethoxyphenyl)-6-methyl-N-phenyl-1,4-dihydropyrimidine-5-carboxamide CAS Name: 2-(cyanomethylthio)-4-(2,4-dimethoxyphenyl)-6-methyl-N-phenyl-1,4-dihydropyrimidine-5-carboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-4-(2,4-dimethoxyphenyl)-6-methyl-N-phenyl-1,4-dihydropyrimidine-5-carboxamide Traditional Name: 2-(cyanomethylthio)-4-(2,4-dimethoxyphenyl)-6-methyl-N-phenyl-1,4-dihydropyrimidine-5-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SCC#N)C2=C(C=C(C=C2)OC)OC)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(N=C(N1)SCC#N)C2=C(C=C(C=C2)OC)OC)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O3S/c1-14-19(21(27)25-15-7-5-4-6-8-15)20(26-22(24-14)30-12-11-23)17-10-9-16(28-2)13-18(17)29-3/h4-10,13,20H,12H2,1-3H3,(H,24,26)(H,25,27)