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

Systemtic Name: 8-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-7H-purine-2,6-diamine dihydrochloride Openeye Name: 8-[1-(1-naphthylsulfonyl)-4-piperidyl]-7H-purine-2,6-diamine dihydrochloride CAS Name: 8-[1-(1-naphthalenylsulfonyl)-4-piperidinyl]-7H-purine-2,6-diamine dihydrochloride IUPAC Name: 8-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-7H-purine-2,6-diamine dihydrochloride Traditional Name: [2-amino-8-[1-(1-naphthylsulfonyl)-4-piperidyl]-7H-purin-6-yl]amine dihydrochloride Formula: C20H23Cl2N7O2S MolecularWeight: 496.41332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=C(N2)C(=NC(=N3)N)N)S(=O)(=O)C4=CC=CC5=CC=CC=C54.Cl.Cl

Isomeric SMILES

C1CN(CCC1C2=NC3=C(N2)C(=NC(=N3)N)N)S(=O)(=O)C4=CC=CC5=CC=CC=C54.Cl.Cl

InChI

InChI=1S/C20H21N7O2S.2ClH/c21-17-16-19(26-20(22)24-17)25-18(23-16)13-8-10-27(11-9-13)30(28,29)15-7-3-5-12-4-1-2-6-14(12)15;;/h1-7,13H,8-11H2,(H5,21,22,23,24,25,26);2*1H