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

Systemtic Name: 8-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine dihydrochloride Openeye Name: 8-[1-(2-bromophenyl)sulfonyl-4-piperidyl]-7H-purine-2,6-diamine dihydrochloride CAS Name: 8-[1-(2-bromophenyl)sulfonyl-4-piperidinyl]-7H-purine-2,6-diamine dihydrochloride IUPAC Name: 8-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine dihydrochloride Traditional Name: [2-amino-8-[1-(2-bromophenyl)sulfonyl-4-piperidyl]-7H-purin-6-yl]amine dihydrochloride Formula: C16H20BrCl2N7O2S MolecularWeight: 525.2507

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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=C4Br.Cl.Cl

Isomeric SMILES

C1CN(CCC1C2=NC3=C(N2)C(=NC(=N3)N)N)S(=O)(=O)C4=CC=CC=C4Br.Cl.Cl

InChI

InChI=1S/C16H18BrN7O2S.2ClH/c17-10-3-1-2-4-11(10)27(25,26)24-7-5-9(6-8-24)14-20-12-13(18)21-16(19)23-15(12)22-14;;/h1-4,9H,5-8H2,(H5,18,19,20,21,22,23);2*1H