4-(4-methylphenyl)-6-[(phenylmethyl)amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-6-[(phenylmethyl)amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 4-(benzylamino)-2-benzylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-6-[(phenylmethyl)amino]-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile Traditional Name: 4-(benzylamino)-2-(benzylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C26H22N4S MolecularWeight: 422.54468

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)NCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)NCC4=CC=CC=C4)C#N

InChI

InChI=1S/C26H22N4S/c1-19-12-14-22(15-13-19)24-23(16-27)25(28-17-20-8-4-2-5-9-20)30-26(29-24)31-18-21-10-6-3-7-11-21/h2-15H,17-18H2,1H3,(H,28,29,30)