4-[(5-chloranyl-2-methoxy-phenyl)amino]-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)amino]-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(5-chloro-2-methoxy-anilino)-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(5-chloro-2-methoxyanilino)-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(5-chloro-2-methoxyanilino)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(5-chloro-2-methoxy-anilino)-2-(methylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4OS/c1-12-4-6-13(7-5-12)18-15(11-22)19(25-20(24-18)27-3)23-16-10-14(21)8-9-17(16)26-2/h4-10H,1-3H3,(H,23,24,25)