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

Systemtic Name: 4-[(4-ethoxyphenyl)amino]-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-ethoxyanilino)-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-ethoxyanilino)-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-ethoxyanilino)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-(p-phenetidino)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2C#N)C3=CC=C(C=C3)C)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2C#N)C3=CC=C(C=C3)C)SC

InChI

InChI=1S/C21H20N4OS/c1-4-26-17-11-9-16(10-12-17)23-20-18(13-22)19(24-21(25-20)27-3)15-7-5-14(2)6-8-15/h5-12H,4H2,1-3H3,(H,23,24,25)