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

Systemtic Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]phenyl]-2,4-bis(chloranyl)benzenesulfonamide Openeye Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-2,4-dichloro-benzenesulfonamide CAS Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-2,4-dichlorobenzenesulfonamide IUPAC Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-2,4-dichlorobenzenesulfonamide Traditional Name: N-[4-[[3-butyl-1-(2-fluorobenzyl)-2,6-diketo-7H-purin-8-yl]methyl]phenyl]-2,4-dichloro-benzenesulfonamide Formula: C29H26Cl2FN5O4S MolecularWeight: 630.517243

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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=C(C=C5)Cl)Cl

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=C(C=C5)Cl)Cl

InChI

InChI=1S/C29H26Cl2FN5O4S/c1-2-3-14-36-27-26(28(38)37(29(36)39)17-19-6-4-5-7-23(19)32)33-25(34-27)15-18-8-11-21(12-9-18)35-42(40,41)24-13-10-20(30)16-22(24)31/h4-13,16,35H,2-3,14-15,17H2,1H3,(H,33,34)