5-[3-methyl-2,6-bis(oxidanylidene)-8-(2-piperidin-4-ylethyl)-7H-purin-1-yl]pentanoic acid dihydrobromide

Systemtic Name: 5-[3-methyl-2,6-bis(oxidanylidene)-8-(2-piperidin-4-ylethyl)-7H-purin-1-yl]pentanoic acid dihydrobromide Openeye Name: 5-[3-methyl-2,6-dioxo-8-[2-(4-piperidyl)ethyl]-7H-purin-1-yl]pentanoic acid dihydrobromide CAS Name: 5-[3-methyl-2,6-dioxo-8-[2-(4-piperidinyl)ethyl]-7H-purin-1-yl]pentanoic acid dihydrobromide IUPAC Name: 5-[3-methyl-2,6-dioxo-8-(2-piperidin-4-ylethyl)-7H-purin-1-yl]pentanoic acid dihydrobromide Traditional Name: 5-[2,6-diketo-3-methyl-8-[2-(4-piperidyl)ethyl]-7H-purin-1-yl]valeric acid dihydrobromide Formula: C18H29Br2N5O4 MolecularWeight: 539.26196

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCCC(=O)O)NC(=N2)CCC3CCNCC3.Br.Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCCC(=O)O)NC(=N2)CCC3CCNCC3.Br.Br

InChI

InChI=1S/C18H27N5O4.2BrH/c1-22-16-15(17(26)23(18(22)27)11-3-2-4-14(24)25)20-13(21-16)6-5-12-7-9-19-10-8-12;;/h12,19H,2-11H2,1H3,(H,20,21)(H,24,25);2*1H