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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=C(N2)C(=NC(=N3)N)N)S(=O)(=O)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CN(CCC1C2=NC3=C(N2)C(=NC(=N3)N)N)S(=O)(=O)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C17H21N7O2S.2ClH/c18-14-13-16(23-17(19)21-14)22-15(20-13)12-6-8-24(9-7-12)27(25,26)10-11-4-2-1-3-5-11;;/h1-5,12H,6-10H2,(H5,18,19,20,21,22,23);2*1H