4-[[6-(thiophen-2-ylmethylsulfanyl)-5H-purin-8-yl]diazenyl]benzenesulfonamide

Systemtic Name: 4-[[6-(thiophen-2-ylmethylsulfanyl)-5H-purin-8-yl]diazenyl]benzenesulfonamide Openeye Name: 4-[[6-(2-thienylmethylsulfanyl)-5H-purin-8-yl]azo]benzenesulfonamide CAS Name: 4-[[6-(thiophen-2-ylmethylthio)-5H-purin-8-yl]azo]benzenesulfonamide IUPAC Name: 4-[[6-(thiophen-2-ylmethylsulfanyl)-5H-purin-8-yl]diazenyl]benzenesulfonamide Traditional Name: 4-[[6-(2-thenylthio)-5H-purin-8-yl]azo]benzenesulfonamide Formula: C16H13N7O2S3 MolecularWeight: 431.51512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CSC2=NC=NC3=NC(=NC32)N=NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CSC(=C1)CSC2=NC=NC3=NC(=NC32)N=NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C16H13N7O2S3/c17-28(24,25)12-5-3-10(4-6-12)22-23-16-20-13-14(21-16)18-9-19-15(13)27-8-11-2-1-7-26-11/h1-7,9,13H,8H2,(H2,17,24,25)