N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]phenyl]-2,3,5,6-tetramethyl-benzenesulfonamide

Systemtic Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]phenyl]-2,3,5,6-tetramethyl-benzenesulfonamide Openeye Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-2,3,5,6-tetramethyl-benzenesulfonamide CAS Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-2,3,5,6-tetramethylbenzenesulfonamide IUPAC Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-2,3,5,6-tetramethylbenzenesulfonamide Traditional Name: N-[4-[[3-butyl-1-(2-fluorobenzyl)-2,6-diketo-7H-purin-8-yl]methyl]phenyl]-2,3,5,6-tetramethyl-benzenesulfonamide Formula: C33H36FN5O4S MolecularWeight: 617.733443

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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=C(C(=CC(=C5C)C)C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3F)NC(=N2)CC4=CC=C(C=C4)NS(=O)(=O)C5=C(C(=CC(=C5C)C)C)C

InChI

InChI=1S/C33H36FN5O4S/c1-6-7-16-38-31-29(32(40)39(33(38)41)19-25-10-8-9-11-27(25)34)35-28(36-31)18-24-12-14-26(15-13-24)37-44(42,43)30-22(4)20(2)17-21(3)23(30)5/h8-15,17,37H,6-7,16,18-19H2,1-5H3,(H,35,36)