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

Systemtic Name: 4-[[4-(diethylamino)phenyl]amino]-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-[4-(diethylamino)anilino]-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-[4-(diethylamino)anilino]-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(diethylamino)anilino]-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-[4-(diethylamino)anilino]-2-(methylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C23H25N5S MolecularWeight: 403.5431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5S/c1-5-28(6-2)19-13-11-18(12-14-19)25-22-20(15-24)21(26-23(27-22)29-4)17-9-7-16(3)8-10-17/h7-14H,5-6H2,1-4H3,(H,25,26,27)