N-[6-oxidanyl-6-(6-oxidanylidene-3H-purin-9-yl)hexyl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[6-oxidanyl-6-(6-oxidanylidene-3H-purin-9-yl)hexyl]-1-phenyl-methanesulfonamide Openeye Name: N-[6-hydroxy-6-(6-oxo-3H-purin-9-yl)hexyl]-1-phenyl-methanesulfonamide CAS Name: N-[6-hydroxy-6-(6-oxo-3H-purin-9-yl)hexyl]-1-phenylmethanesulfonamide IUPAC Name: N-[6-hydroxy-6-(6-oxo-3H-purin-9-yl)hexyl]-1-phenylmethanesulfonamide Traditional Name: N-[6-hydroxy-6-(6-keto-3H-purin-9-yl)hexyl]-1-phenyl-methanesulfonamide Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NCCCCCC(N2C=NC3=C2NC=NC3=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)NCCCCCC(N2C=NC3=C2NC=NC3=O)O

InChI

InChI=1S/C18H23N5O4S/c24-15(23-13-21-16-17(23)19-12-20-18(16)25)9-5-2-6-10-22-28(26,27)11-14-7-3-1-4-8-14/h1,3-4,7-8,12-13,15,22,24H,2,5-6,9-11H2,(H,19,20,25)