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

Systemtic Name: 4-[[6-[(4-chlorophenyl)methylsulfanyl]-5H-purin-8-yl]diazenyl]benzenesulfonamide Openeye Name: 4-[[6-[(4-chlorophenyl)methylsulfanyl]-5H-purin-8-yl]azo]benzenesulfonamide CAS Name: 4-[[6-[(4-chlorophenyl)methylthio]-5H-purin-8-yl]azo]benzenesulfonamide IUPAC Name: 4-[[6-[(4-chlorophenyl)methylsulfanyl]-5H-purin-8-yl]diazenyl]benzenesulfonamide Traditional Name: 4-[[6-[(4-chlorobenzyl)thio]-5H-purin-8-yl]azo]benzenesulfonamide Formula: C18H14ClN7O2S2 MolecularWeight: 459.93246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NC3=NC(=NC32)N=NC4=CC=C(C=C4)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NC3=NC(=NC32)N=NC4=CC=C(C=C4)S(=O)(=O)N)Cl

InChI

InChI=1S/C18H14ClN7O2S2/c19-12-3-1-11(2-4-12)9-29-17-15-16(21-10-22-17)24-18(23-15)26-25-13-5-7-14(8-6-13)30(20,27)28/h1-8,10,15H,9H2,(H2,20,27,28)