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

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[4-(pyrimidin-4-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[4-(pyrimidin-4-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[4-(4-pyrimidinylsulfamoyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[4-(pyrimidin-4-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-[4-(4-pyrimidylsulfamoyl)phenyl]pyrimidine-4-carboxamide Formula: C16H13ClN6O3S2 MolecularWeight: 436.89582

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=NC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=NC=C3)Cl

InChI

InChI=1S/C16H13ClN6O3S2/c1-27-16-19-8-12(17)14(22-16)15(24)21-10-2-4-11(5-3-10)28(25,26)23-13-6-7-18-9-20-13/h2-9H,1H3,(H,21,24)(H,18,20,23)