8-(1-butylsulfonylpiperidin-4-yl)-9-cyclopentyl-purine-2,6-diamine dihydrochloride

Systemtic Name: 8-(1-butylsulfonylpiperidin-4-yl)-9-cyclopentyl-purine-2,6-diamine dihydrochloride Openeye Name: 8-(1-butylsulfonyl-4-piperidyl)-9-cyclopentyl-purine-2,6-diamine dihydrochloride CAS Name: 8-(1-butylsulfonyl-4-piperidinyl)-9-cyclopentylpurine-2,6-diamine dihydrochloride IUPAC Name: 8-(1-butylsulfonylpiperidin-4-yl)-9-cyclopentylpurine-2,6-diamine dihydrochloride Traditional Name: [2-amino-8-(1-butylsulfonyl-4-piperidyl)-9-cyclopentyl-purin-6-yl]amine dihydrochloride Formula: C19H33Cl2N7O2S MolecularWeight: 494.48202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCC(CC1)C2=NC3=C(N2C4CCCC4)N=C(N=C3N)N.Cl.Cl

Isomeric SMILES

CCCCS(=O)(=O)N1CCC(CC1)C2=NC3=C(N2C4CCCC4)N=C(N=C3N)N.Cl.Cl

InChI

InChI=1S/C19H31N7O2S.2ClH/c1-2-3-12-29(27,28)25-10-8-13(9-11-25)17-22-15-16(20)23-19(21)24-18(15)26(17)14-6-4-5-7-14;;/h13-14H,2-12H2,1H3,(H4,20,21,23,24);2*1H