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

Systemtic Name: 2-(cyanomethylsulfanyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide CAS Name: 2-(cyanomethylthio)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide Traditional Name: 2-(cyanomethylthio)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4OS/c1-9-11(13(16)19)12(10-5-3-2-4-6-10)18-14(17-9)20-8-7-15/h2-6,12H,8H2,1H3,(H2,16,19)(H,17,18)