5-chloranyl-2-ethylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-ethylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(ethylthio)-N-[2-(4-sulfamoylphenyl)ethyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(ethylthio)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide Formula: C15H17ClN4O3S2 MolecularWeight: 400.90348

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)Cl

InChI

InChI=1S/C15H17ClN4O3S2/c1-2-24-15-19-9-12(16)13(20-15)14(21)18-8-7-10-3-5-11(6-4-10)25(17,22)23/h3-6,9H,2,7-8H2,1H3,(H,18,21)(H2,17,22,23)