4-[(4-chlorophenyl)methylamino]-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[(4-chlorophenyl)methylamino]-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-[(4-chlorophenyl)methylamino]-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-[(4-chlorophenyl)methylamino]-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-[(4-chlorophenyl)methylamino]-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-[(4-chlorobenzyl)amino]-2-(methylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C20H17ClN4S MolecularWeight: 380.89378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H17ClN4S/c1-13-3-7-15(8-4-13)18-17(11-22)19(25-20(24-18)26-2)23-12-14-5-9-16(21)10-6-14/h3-10H,12H2,1-2H3,(H,23,24,25)