6-[3,9-dimethyl-2,6-bis(oxidanylidene)-8-(2-piperidin-4-ylethyl)purin-1-yl]hexanoic acid

Systemtic Name: 6-[3,9-dimethyl-2,6-bis(oxidanylidene)-8-(2-piperidin-4-ylethyl)purin-1-yl]hexanoic acid Openeye Name: 6-[3,9-dimethyl-2,6-dioxo-8-[2-(4-piperidyl)ethyl]purin-1-yl]hexanoic acid CAS Name: 6-[3,9-dimethyl-2,6-dioxo-8-[2-(4-piperidinyl)ethyl]-1-purinyl]hexanoic acid IUPAC Name: 6-[3,9-dimethyl-2,6-dioxo-8-(2-piperidin-4-ylethyl)purin-1-yl]hexanoic acid Traditional Name: 6-[2,6-diketo-3,9-dimethyl-8-[2-(4-piperidyl)ethyl]purin-1-yl]hexanoic acid Formula: C20H31N5O4 MolecularWeight: 405.49124

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1N(C(=O)N(C2=O)CCCCCC(=O)O)C)CCC3CCNCC3

Isomeric SMILES

CN1C(=NC2=C1N(C(=O)N(C2=O)CCCCCC(=O)O)C)CCC3CCNCC3

InChI

InChI=1S/C20H31N5O4/c1-23-15(8-7-14-9-11-21-12-10-14)22-17-18(23)24(2)20(29)25(19(17)28)13-5-3-4-6-16(26)27/h14,21H,3-13H2,1-2H3,(H,26,27)