4-(4-methylphenyl)-2-methylsulfanyl-6-(phenethylamino)pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-(phenethylamino)pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-(phenethylamino)-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-2-(methylthio)-6-(phenethylamino)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-(phenethylamino)pyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-(phenethylamino)-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)NCCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H20N4S/c1-15-8-10-17(11-9-15)19-18(14-22)20(25-21(24-19)26-2)23-13-12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,23,24,25)