4-(4-methylphenyl)-2-(phenylmethylsulfanyl)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-2-(phenylmethylsulfanyl)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(isopropylamino)-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-2-(phenylmethylthio)-6-(propan-2-ylamino)-5-pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-(4-methylphenyl)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-(isopropylamino)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C22H22N4S MolecularWeight: 374.50188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)NC(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)NC(C)C)C#N

InChI

InChI=1S/C22H22N4S/c1-15(2)24-21-19(13-23)20(18-11-9-16(3)10-12-18)25-22(26-21)27-14-17-7-5-4-6-8-17/h4-12,15H,14H2,1-3H3,(H,24,25,26)