N-[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]benzenesulfonamide

Systemtic Name: N-[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]benzenesulfonamide Openeye Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]benzenesulfonamide CAS Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]benzenesulfonamide IUPAC Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]benzenesulfonamide Traditional Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]benzenesulfonamide Formula: C22H29N7O2S MolecularWeight: 455.57636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NS(=O)(=O)C4=CC=CC=C4)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NS(=O)(=O)C4=CC=CC=C4)NC5CCC(CC5)N

InChI

InChI=1S/C22H29N7O2S/c23-15-10-12-16(13-11-15)25-22-26-20(28-32(30,31)18-8-2-1-3-9-18)19-21(27-22)29(14-24-19)17-6-4-5-7-17/h1-3,8-9,14-17H,4-7,10-13,23H2,(H2,25,26,27,28)