8-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine dihydrochloride

Systemtic Name: 8-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine dihydrochloride Openeye Name: 8-[1-(p-tolylsulfonyl)-4-piperidyl]-7H-purine-2,6-diamine dihydrochloride CAS Name: 8-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-7H-purine-2,6-diamine dihydrochloride IUPAC Name: 8-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine dihydrochloride Traditional Name: [2-amino-8-(1-tosyl-4-piperidyl)-7H-purin-6-yl]amine dihydrochloride Formula: C17H23Cl2N7O2S MolecularWeight: 460.38122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=C(N3)C(=NC(=N4)N)N.Cl.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=C(N3)C(=NC(=N4)N)N.Cl.Cl

InChI

InChI=1S/C17H21N7O2S.2ClH/c1-10-2-4-12(5-3-10)27(25,26)24-8-6-11(7-9-24)15-20-13-14(18)21-17(19)23-16(13)22-15;;/h2-5,11H,6-9H2,1H3,(H5,18,19,20,21,22,23);2*1H