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

Systemtic Name: 4-(4-chlorophenyl)-6-[(2-methoxyphenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-chlorophenyl)-6-[(2-methoxyphenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-chlorophenyl)-6-[(2-methoxyphenyl)methylamino]-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-6-[(2-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(4-chlorophenyl)-2-(methylthio)-6-(o-anisylamino)pyrimidine-5-carbonitrile Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)SC

Isomeric SMILES

COC1=CC=CC=C1CNC2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)SC

InChI

InChI=1S/C20H17ClN4OS/c1-26-17-6-4-3-5-14(17)12-23-19-16(11-22)18(24-20(25-19)27-2)13-7-9-15(21)10-8-13/h3-10H,12H2,1-2H3,(H,23,24,25)