2-bromanyl-4-[[8-(cyclohexylamino)-1,3-diethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenesulfonamide

Systemtic Name: 2-bromanyl-4-[[8-(cyclohexylamino)-1,3-diethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenesulfonamide Openeye Name: 2-bromo-4-[[8-(cyclohexylamino)-1,3-diethyl-2,6-dioxo-purin-7-yl]methyl]benzenesulfonamide CAS Name: 2-bromo-4-[[8-(cyclohexylamino)-1,3-diethyl-2,6-dioxo-7-purinyl]methyl]benzenesulfonamide IUPAC Name: 2-bromo-4-[[8-(cyclohexylamino)-1,3-diethyl-2,6-dioxopurin-7-yl]methyl]benzenesulfonamide Traditional Name: 2-bromo-4-[[8-(cyclohexylamino)-1,3-diethyl-2,6-diketo-purin-7-yl]methyl]benzenesulfonamide Formula: C22H29BrN6O4S MolecularWeight: 553.47246

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC(=C(C=C4)S(=O)(=O)N)Br

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC(=C(C=C4)S(=O)(=O)N)Br

InChI

InChI=1S/C22H29BrN6O4S/c1-3-27-19-18(20(30)28(4-2)22(27)31)29(21(26-19)25-15-8-6-5-7-9-15)13-14-10-11-17(16(23)12-14)34(24,32)33/h10-12,15H,3-9,13H2,1-2H3,(H,25,26)(H2,24,32,33)