4-(4-methylphenyl)-2-methylsulfanyl-6-[(4-pyrrolidin-1-ylphenyl)amino]pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-[(4-pyrrolidin-1-ylphenyl)amino]pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-(p-tolyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-2-(methylthio)-6-[4-(1-pyrrolidinyl)anilino]-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-(p-tolyl)-6-(4-pyrrolidinoanilino)pyrimidine-5-carbonitrile Formula: C23H23N5S MolecularWeight: 401.52722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NC3=CC=C(C=C3)N4CCCC4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NC3=CC=C(C=C3)N4CCCC4)C#N

InChI

InChI=1S/C23H23N5S/c1-16-5-7-17(8-6-16)21-20(15-24)22(27-23(26-21)29-2)25-18-9-11-19(12-10-18)28-13-3-4-14-28/h5-12H,3-4,13-14H2,1-2H3,(H,25,26,27)