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

Systemtic Name: N-[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-4-propan-2-yl-benzenesulfonamide Openeye Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-4-isopropyl-benzenesulfonamide CAS Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]-4-propan-2-ylbenzenesulfonamide Traditional Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-4-isopropyl-benzenesulfonamide Formula: C25H35N7O2S MolecularWeight: 497.6561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C25H35N7O2S/c1-16(2)17-7-13-21(14-8-17)35(33,34)31-23-22-24(32(15-27-22)20-5-3-4-6-20)30-25(29-23)28-19-11-9-18(26)10-12-19/h7-8,13-16,18-20H,3-6,9-12,26H2,1-2H3,(H2,28,29,30,31)