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

Systemtic Name: 4-[(3,4-dimethoxyphenyl)amino]-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(3,4-dimethoxyanilino)-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(3,4-dimethoxyanilino)-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(3,4-dimethoxyanilino)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(3,4-dimethoxyanilino)-2-(methylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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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)OC)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S/c1-13-5-7-14(8-6-13)19-16(12-22)20(25-21(24-19)28-4)23-15-9-10-17(26-2)18(11-15)27-3/h5-11H,1-4H3,(H,23,24,25)