4-(4-methylphenyl)-2-methylsulfanyl-6-(1-phenylethylamino)pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-(1-phenylethylamino)pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-(1-phenylethylamino)-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-2-(methylthio)-6-(1-phenylethylamino)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-(1-phenylethylamino)pyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-(1-phenylethylamino)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4S/c1-14-9-11-17(12-10-14)19-18(13-22)20(25-21(24-19)26-3)23-15(2)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,23,24,25)