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

Systemtic Name: 4-[(3-methoxyphenyl)amino]-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(3-methoxyanilino)-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(3-methoxyanilino)-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(3-methoxyanilino)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(m-anisidino)-2-(methylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4OS/c1-13-7-9-14(10-8-13)18-17(12-21)19(24-20(23-18)26-3)22-15-5-4-6-16(11-15)25-2/h4-11H,1-3H3,(H,22,23,24)