4-[(3,4-dimethylphenyl)amino]-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[(3,4-dimethylphenyl)amino]-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(3,4-dimethylanilino)-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(3,4-dimethylanilino)-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(3,4-dimethylanilino)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(3,4-dimethylanilino)-2-(methylthio)-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)NC3=CC(=C(C=C3)C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NC3=CC(=C(C=C3)C)C)C#N

InChI

InChI=1S/C21H20N4S/c1-13-5-8-16(9-6-13)19-18(12-22)20(25-21(24-19)26-4)23-17-10-7-14(2)15(3)11-17/h5-11H,1-4H3,(H,23,24,25)