8-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-7H-purine-2,6-diamine dihydrochloride

Systemtic Name: 8-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-7H-purine-2,6-diamine dihydrochloride Openeye Name: 8-[1-(8-quinolylsulfonyl)-4-piperidyl]-7H-purine-2,6-diamine dihydrochloride CAS Name: 8-[1-(8-quinolinylsulfonyl)-4-piperidinyl]-7H-purine-2,6-diamine dihydrochloride IUPAC Name: 8-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-7H-purine-2,6-diamine dihydrochloride Traditional Name: [2-amino-8-[1-(8-quinolylsulfonyl)-4-piperidyl]-7H-purin-6-yl]amine dihydrochloride Formula: C19H22Cl2N8O2S MolecularWeight: 497.40138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=C(N2)C(=NC(=N3)N)N)S(=O)(=O)C4=CC=CC5=C4N=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCC1C2=NC3=C(N2)C(=NC(=N3)N)N)S(=O)(=O)C4=CC=CC5=C4N=CC=C5.Cl.Cl

InChI

InChI=1S/C19H20N8O2S.2ClH/c20-16-15-18(26-19(21)24-16)25-17(23-15)12-6-9-27(10-7-12)30(28,29)13-5-1-3-11-4-2-8-22-14(11)13;;/h1-5,8,12H,6-7,9-10H2,(H5,20,21,23,24,25,26);2*1H