8-[1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine dihydrochloride

Systemtic Name: 8-[1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine dihydrochloride Openeye Name: 8-[1-[[5-(dimethylamino)-1-naphthyl]sulfonyl]-4-piperidyl]-7H-purine-2,6-diamine dihydrochloride CAS Name: 8-[1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-4-piperidinyl]-7H-purine-2,6-diamine dihydrochloride IUPAC Name: 8-[1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine dihydrochloride Traditional Name: [5-[4-(2,6-diamino-7H-purin-8-yl)piperidino]sulfonyl-1-naphthyl]-dimethyl-amine dihydrochloride Formula: C22H28Cl2N8O2S MolecularWeight: 539.48112

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCC(CC3)C4=NC5=C(N4)C(=NC(=N5)N)N.Cl.Cl

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCC(CC3)C4=NC5=C(N4)C(=NC(=N5)N)N.Cl.Cl

InChI

InChI=1S/C22H26N8O2S.2ClH/c1-29(2)16-7-3-6-15-14(16)5-4-8-17(15)33(31,32)30-11-9-13(10-12-30)20-25-18-19(23)26-22(24)28-21(18)27-20;;/h3-8,13H,9-12H2,1-2H3,(H5,23,24,25,26,27,28);2*1H