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

Systemtic Name: 9-cyclopentyl-8-(1-propylsulfonylpiperidin-4-yl)purine-2,6-diamine dihydrochloride Openeye Name: 9-cyclopentyl-8-(1-propylsulfonyl-4-piperidyl)purine-2,6-diamine dihydrochloride CAS Name: 9-cyclopentyl-8-(1-propylsulfonyl-4-piperidinyl)purine-2,6-diamine dihydrochloride IUPAC Name: 9-cyclopentyl-8-(1-propylsulfonylpiperidin-4-yl)purine-2,6-diamine dihydrochloride Traditional Name: [2-amino-9-cyclopentyl-8-(1-propylsulfonyl-4-piperidyl)purin-6-yl]amine dihydrochloride Formula: C18H31Cl2N7O2S MolecularWeight: 480.45544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N7O2S.2ClH/c1-2-11-28(26,27)24-9-7-12(8-10-24)16-21-14-15(19)22-18(20)23-17(14)25(16)13-5-3-4-6-13;;/h12-13H,2-11H2,1H3,(H4,19,20,22,23);2*1H