4-[(6-ethylsulfanyl-5H-purin-8-yl)diazenyl]benzenesulfonamide

Systemtic Name: 4-[(6-ethylsulfanyl-5H-purin-8-yl)diazenyl]benzenesulfonamide Openeye Name: 4-[(6-ethylsulfanyl-5H-purin-8-yl)azo]benzenesulfonamide CAS Name: 4-[[6-(ethylthio)-5H-purin-8-yl]azo]benzenesulfonamide IUPAC Name: 4-[(6-ethylsulfanyl-5H-purin-8-yl)diazenyl]benzenesulfonamide Traditional Name: 4-[[6-(ethylthio)-5H-purin-8-yl]azo]benzenesulfonamide Formula: C13H13N7O2S2 MolecularWeight: 363.41802

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=NC2=NC(=NC21)N=NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCSC1=NC=NC2=NC(=NC21)N=NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C13H13N7O2S2/c1-2-23-12-10-11(15-7-16-12)18-13(17-10)20-19-8-3-5-9(6-4-8)24(14,21)22/h3-7,10H,2H2,1H3,(H2,14,21,22)