4-[2-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[5-cyano-2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[(5-cyano-2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[5-cyano-2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Formula: C20H19N5O2S2 MolecularWeight: 425.52716

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NCCC2=CC=C(C=C2)S(=O)(=O)N)C#N)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)NCCC2=CC=C(C=C2)S(=O)(=O)N)C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H19N5O2S2/c1-28-20-24-18(15-5-3-2-4-6-15)17(13-21)19(25-20)23-12-11-14-7-9-16(10-8-14)29(22,26)27/h2-10H,11-12H2,1H3,(H2,22,26,27)(H,23,24,25)