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

Systemtic Name: 4-(4-chlorophenyl)-2-methylsulfanyl-6-[(4-pyrrolidin-1-ylphenyl)amino]pyrimidine-5-carbonitrile Openeye Name: 4-(4-chlorophenyl)-2-methylsulfanyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carbonitrile CAS Name: 4-(4-chlorophenyl)-2-(methylthio)-6-[4-(1-pyrrolidinyl)anilino]-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-2-methylsulfanyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carbonitrile Traditional Name: 4-(4-chlorophenyl)-2-(methylthio)-6-(4-pyrrolidinoanilino)pyrimidine-5-carbonitrile Formula: C22H20ClN5S MolecularWeight: 421.9457

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NC2=CC=C(C=C2)N3CCCC3)C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CSC1=NC(=C(C(=N1)NC2=CC=C(C=C2)N3CCCC3)C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN5S/c1-29-22-26-20(15-4-6-16(23)7-5-15)19(14-24)21(27-22)25-17-8-10-18(11-9-17)28-12-2-3-13-28/h4-11H,2-3,12-13H2,1H3,(H,25,26,27)