N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]phenyl]-3,4-bis(fluoranyl)benzenesulfonamide

Systemtic Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]phenyl]-3,4-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-3,4-difluoro-benzenesulfonamide CAS Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-3,4-difluorobenzenesulfonamide IUPAC Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-3,4-difluorobenzenesulfonamide Traditional Name: N-[4-[[3-butyl-1-(2-fluorobenzyl)-2,6-diketo-7H-purin-8-yl]methyl]phenyl]-3,4-difluoro-benzenesulfonamide Formula: C29H26F3N5O4S MolecularWeight: 597.60805

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3F)NC(=N2)CC4=CC=C(C=C4)NS(=O)(=O)C5=CC(=C(C=C5)F)F

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3F)NC(=N2)CC4=CC=C(C=C4)NS(=O)(=O)C5=CC(=C(C=C5)F)F

InChI

InChI=1S/C29H26F3N5O4S/c1-2-3-14-36-27-26(28(38)37(29(36)39)17-19-6-4-5-7-22(19)30)33-25(34-27)15-18-8-10-20(11-9-18)35-42(40,41)21-12-13-23(31)24(32)16-21/h4-13,16,35H,2-3,14-15,17H2,1H3,(H,33,34)