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

Systemtic Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]phenyl]ethanesulfonamide Openeye Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]ethanesulfonamide CAS Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]ethanesulfonamide IUPAC Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]ethanesulfonamide Traditional Name: N-[4-[[3-butyl-1-(2-fluorobenzyl)-2,6-diketo-7H-purin-8-yl]methyl]phenyl]ethanesulfonamide Formula: C25H28FN5O4S MolecularWeight: 513.584323

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C25H28FN5O4S/c1-3-5-14-30-23-22(24(32)31(25(30)33)16-18-8-6-7-9-20(18)26)27-21(28-23)15-17-10-12-19(13-11-17)29-36(34,35)4-2/h6-13,29H,3-5,14-16H2,1-2H3,(H,27,28)