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

Systemtic Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]phenyl]-5-chloranyl-thiophene-2-sulfonamide Openeye Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-5-chloro-thiophene-2-sulfonamide CAS Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-5-chloro-2-thiophenesulfonamide IUPAC Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-5-chlorothiophene-2-sulfonamide Traditional Name: N-[4-[[3-butyl-1-(2-fluorobenzyl)-2,6-diketo-7H-purin-8-yl]methyl]phenyl]-5-chloro-thiophene-2-sulfonamide Formula: C27H25ClFN5O4S2 MolecularWeight: 602.099903

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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(S5)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=CC=C(S5)Cl

InChI

InChI=1S/C27H25ClFN5O4S2/c1-2-3-14-33-25-24(26(35)34(27(33)36)16-18-6-4-5-7-20(18)29)30-22(31-25)15-17-8-10-19(11-9-17)32-40(37,38)23-13-12-21(28)39-23/h4-13,32H,2-3,14-16H2,1H3,(H,30,31)