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

Systemtic Name: 4-[(3,4-dimethylphenyl)amino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-(3,4-dimethylanilino)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-(3,4-dimethylanilino)-2-(methylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-(3,4-dimethylanilino)-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(3,4-dimethylanilino)-2-(methylthio)-6-phenyl-pyrimidine-5-carbonitrile Formula: C20H18N4S MolecularWeight: 346.44872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2C#N)C3=CC=CC=C3)SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2C#N)C3=CC=CC=C3)SC)C

InChI

InChI=1S/C20H18N4S/c1-13-9-10-16(11-14(13)2)22-19-17(12-21)18(23-20(24-19)25-3)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,22,23,24)