4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-sulfonic acid

Systemtic Name: 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-sulfonic acid Openeye Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-sulfonic acid CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-piperidinesulfonic acid IUPAC Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidine-1-sulfonic acid Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-sulfonic acid Formula: C21H34N8O3S MolecularWeight: 478.61146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)S(=O)(=O)O)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)S(=O)(=O)O)NC5CCC(CC5)N

InChI

InChI=1S/C21H34N8O3S/c22-14-5-7-15(8-6-14)25-21-26-19(24-16-9-11-28(12-10-16)33(30,31)32)18-20(27-21)29(13-23-18)17-3-1-2-4-17/h13-17H,1-12,22H2,(H,30,31,32)(H2,24,25,26,27)