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

Systemtic Name: N-[2-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-4-methoxy-benzenesulfonamide CAS Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]ethyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]ethyl]-4-methoxybenzenesulfonamide Traditional Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-4-methoxy-benzenesulfonamide Formula: C25H36N8O3S MolecularWeight: 528.67014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCCNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCCNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C25H36N8O3S/c1-36-20-10-12-21(13-11-20)37(34,35)29-15-14-27-23-22-24(33(16-28-22)19-4-2-3-5-19)32-25(31-23)30-18-8-6-17(26)7-9-18/h10-13,16-19,29H,2-9,14-15,26H2,1H3,(H2,27,30,31,32)