5-chloranyl-2-(phenylmethylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-(phenylmethylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(phenylmethylthio)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-[4-(2-pyrimidylsulfamoyl)phenyl]pyrimidine-4-carboxamide Formula: C22H17ClN6O3S2 MolecularWeight: 512.99178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)Cl

InChI

InChI=1S/C22H17ClN6O3S2/c23-18-13-26-22(33-14-15-5-2-1-3-6-15)28-19(18)20(30)27-16-7-9-17(10-8-16)34(31,32)29-21-24-11-4-12-25-21/h1-13H,14H2,(H,27,30)(H,24,25,29)