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

Systemtic Name: 5-[2,6-bis(oxidanylidene)-8-(2-piperidin-4-ylethyl)-9-propan-2-yl-3H-purin-1-yl]pentanoic acid dihydrobromide Openeye Name: 5-[9-isopropyl-2,6-dioxo-8-[2-(4-piperidyl)ethyl]-3H-purin-1-yl]pentanoic acid dihydrobromide CAS Name: 5-[2,6-dioxo-8-[2-(4-piperidinyl)ethyl]-9-propan-2-yl-3H-purin-1-yl]pentanoic acid dihydrobromide IUPAC Name: 5-[2,6-dioxo-8-(2-piperidin-4-ylethyl)-9-propan-2-yl-3H-purin-1-yl]pentanoic acid dihydrobromide Traditional Name: 5-[9-isopropyl-2,6-diketo-8-[2-(4-piperidyl)ethyl]-3H-purin-1-yl]valeric acid dihydrobromide Formula: C20H33Br2N5O4 MolecularWeight: 567.31512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC2=C1NC(=O)N(C2=O)CCCCC(=O)O)CCC3CCNCC3.Br.Br

Isomeric SMILES

CC(C)N1C(=NC2=C1NC(=O)N(C2=O)CCCCC(=O)O)CCC3CCNCC3.Br.Br

InChI

InChI=1S/C20H31N5O4.2BrH/c1-13(2)25-15(7-6-14-8-10-21-11-9-14)22-17-18(25)23-20(29)24(19(17)28)12-4-3-5-16(26)27;;/h13-14,21H,3-12H2,1-2H3,(H,23,29)(H,26,27);2*1H