5-[3-butyl-9-methyl-2,6-bis(oxidanylidene)-8-(2-piperidin-4-ylethyl)purin-1-yl]pentanoic acid dihydrobromide

Systemtic Name: 5-[3-butyl-9-methyl-2,6-bis(oxidanylidene)-8-(2-piperidin-4-ylethyl)purin-1-yl]pentanoic acid dihydrobromide Openeye Name: 5-[3-butyl-9-methyl-2,6-dioxo-8-[2-(4-piperidyl)ethyl]purin-1-yl]pentanoic acid dihydrobromide CAS Name: 5-[3-butyl-9-methyl-2,6-dioxo-8-[2-(4-piperidinyl)ethyl]-1-purinyl]pentanoic acid dihydrobromide IUPAC Name: 5-[3-butyl-9-methyl-2,6-dioxo-8-(2-piperidin-4-ylethyl)purin-1-yl]pentanoic acid dihydrobromide Traditional Name: 5-[3-butyl-2,6-diketo-9-methyl-8-[2-(4-piperidyl)ethyl]purin-1-yl]valeric acid dihydrobromide Formula: C22H37Br2N5O4 MolecularWeight: 595.36828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCCC(=O)O)N=C(N2C)CCC3CCNCC3.Br.Br

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCCC(=O)O)N=C(N2C)CCC3CCNCC3.Br.Br

InChI

InChI=1S/C22H35N5O4.2BrH/c1-3-4-14-26-20-19(21(30)27(22(26)31)15-6-5-7-18(28)29)24-17(25(20)2)9-8-16-10-12-23-13-11-16;;/h16,23H,3-15H2,1-2H3,(H,28,29);2*1H