4-(methylamino)-6-(4-methylphenyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-(methylamino)-6-(4-methylphenyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(methylamino)-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(methylamino)-6-(4-methylphenyl)-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-(methylamino)-6-(4-methylphenyl)pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-(methylamino)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C20H18N4S MolecularWeight: 346.44872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4S/c1-14-8-10-16(11-9-14)18-17(12-21)19(22-2)24-20(23-18)25-13-15-6-4-3-5-7-15/h3-11H,13H2,1-2H3,(H,22,23,24)