5-[9-methyl-6-oxidanyl-8-(2-piperidin-4-ylethyl)-6H-purin-1-yl]pentanoic acid dihydrobromide

Systemtic Name: 5-[9-methyl-6-oxidanyl-8-(2-piperidin-4-ylethyl)-6H-purin-1-yl]pentanoic acid dihydrobromide Openeye Name: 5-[6-hydroxy-9-methyl-8-[2-(4-piperidyl)ethyl]-6H-purin-1-yl]pentanoic acid dihydrobromide CAS Name: 5-[6-hydroxy-9-methyl-8-[2-(4-piperidinyl)ethyl]-6H-purin-1-yl]pentanoic acid dihydrobromide IUPAC Name: 5-[6-hydroxy-9-methyl-8-(2-piperidin-4-ylethyl)-6H-purin-1-yl]pentanoic acid dihydrobromide Traditional Name: 5-[6-hydroxy-9-methyl-8-[2-(4-piperidyl)ethyl]-6H-purin-1-yl]valeric acid dihydrobromide Formula: C18H31Br2N5O3 MolecularWeight: 525.27844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1N=CN(C2O)CCCCC(=O)O)CCC3CCNCC3.Br.Br

Isomeric SMILES

CN1C(=NC2=C1N=CN(C2O)CCCCC(=O)O)CCC3CCNCC3.Br.Br

InChI

InChI=1S/C18H29N5O3.2BrH/c1-22-14(6-5-13-7-9-19-10-8-13)21-16-17(22)20-12-23(18(16)26)11-3-2-4-15(24)25;;/h12-13,18-19,26H,2-11H2,1H3,(H,24,25);2*1H