8-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine dihydrochloride

Systemtic Name: 8-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine dihydrochloride Openeye Name: 8-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]-7H-purine-2,6-diamine dihydrochloride CAS Name: 8-[1-(3-nitrophenyl)sulfonyl-4-piperidinyl]-7H-purine-2,6-diamine dihydrochloride IUPAC Name: 8-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine dihydrochloride Traditional Name: [2-amino-8-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]-7H-purin-6-yl]amine dihydrochloride Formula: C16H20Cl2N8O4S MolecularWeight: 491.3522

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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=CC(=C4)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

C1CN(CCC1C2=NC3=C(N2)C(=NC(=N3)N)N)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C16H18N8O4S.2ClH/c17-13-12-15(22-16(18)20-13)21-14(19-12)9-4-6-23(7-5-9)29(27,28)11-3-1-2-10(8-11)24(25)26;;/h1-3,8-9H,4-7H2,(H5,17,18,19,20,21,22);2*1H