N-[4-[(4-phenyldiazenylphenyl)sulfamoyl]phenyl]-2,2,2-tris(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[4-[(4-phenyldiazenylphenyl)sulfamoyl]phenyl]-2,2,2-tris(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-[4-[(4-phenylazophenyl)sulfamoyl]phenyl]-2,2,2-tris(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[4-[(4-phenyldiazenylphenyl)sulfamoyl]phenyl]-2,2,2-tris(7H-purin-6-ylthio)acetamide IUPAC Name: N-[4-[(4-phenyldiazenylphenyl)sulfamoyl]phenyl]-2,2,2-tris(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-[4-[(4-phenylazophenyl)sulfamoyl]phenyl]-2,2,2-tris(7H-purin-6-ylthio)acetamide Formula: C35H24N16O3S4 MolecularWeight: 844.93046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C(SC4=NC=NC5=C4NC=N5)(SC6=NC=NC7=C6NC=N7)SC8=NC=NC9=C8NC=N9

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C(SC4=NC=NC5=C4NC=N5)(SC6=NC=NC7=C6NC=N7)SC8=NC=NC9=C8NC=N9

InChI

InChI=1S/C35H24N16O3S4/c52-34(48-20-10-12-24(13-11-20)58(53,54)51-23-8-6-22(7-9-23)50-49-21-4-2-1-3-5-21)35(55-31-25-28(39-14-36-25)42-17-45-31,56-32-26-29(40-15-37-26)43-18-46-32)57-33-27-30(41-16-38-27)44-19-47-33/h1-19,51H,(H,48,52)(H,36,39,42,45)(H,37,40,43,46)(H,38,41,44,47)