8-[1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidin-4-yl]-9-cyclopentyl-purine-2,6-diamine dihydrochloride

Systemtic Name: 8-[1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidin-4-yl]-9-cyclopentyl-purine-2,6-diamine dihydrochloride Openeye Name: 8-[1-(4-chloro-3-nitro-phenyl)sulfonyl-4-piperidyl]-9-cyclopentyl-purine-2,6-diamine dihydrochloride CAS Name: 8-[1-(4-chloro-3-nitrophenyl)sulfonyl-4-piperidinyl]-9-cyclopentylpurine-2,6-diamine dihydrochloride IUPAC Name: 8-[1-(4-chloro-3-nitrophenyl)sulfonylpiperidin-4-yl]-9-cyclopentylpurine-2,6-diamine dihydrochloride Traditional Name: [2-amino-8-[1-(4-chloro-3-nitro-phenyl)sulfonyl-4-piperidyl]-9-cyclopentyl-purin-6-yl]amine dihydrochloride Formula: C21H27Cl3N8O4S MolecularWeight: 593.91428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NC3=C2N=C(N=C3N)N)C4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C(=NC3=C2N=C(N=C3N)N)C4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C21H25ClN8O4S.2ClH/c22-15-6-5-14(11-16(15)30(31)32)35(33,34)28-9-7-12(8-10-28)19-25-17-18(23)26-21(24)27-20(17)29(19)13-3-1-2-4-13;;/h5-6,11-13H,1-4,7-10H2,(H4,23,24,26,27);2*1H