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

Systemtic Name: 4-[(3,4-dimethoxyphenyl)amino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-(3,4-dimethoxyanilino)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-(3,4-dimethoxyanilino)-2-(methylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-(3,4-dimethoxyanilino)-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(3,4-dimethoxyanilino)-2-(methylthio)-6-phenyl-pyrimidine-5-carbonitrile Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=C2C#N)C3=CC=CC=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=C2C#N)C3=CC=CC=C3)SC)OC

InChI

InChI=1S/C20H18N4O2S/c1-25-16-10-9-14(11-17(16)26-2)22-19-15(12-21)18(23-20(24-19)27-3)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,22,23,24)