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

Systemtic Name: 5-[3,9-dimethyl-2,6-bis(oxidanylidene)-8-(2-piperidin-4-ylethyl)purin-1-yl]pentanoic acid Openeye Name: 5-[3,9-dimethyl-2,6-dioxo-8-[2-(4-piperidyl)ethyl]purin-1-yl]pentanoic acid CAS Name: 5-[3,9-dimethyl-2,6-dioxo-8-[2-(4-piperidinyl)ethyl]-1-purinyl]pentanoic acid IUPAC Name: 5-[3,9-dimethyl-2,6-dioxo-8-(2-piperidin-4-ylethyl)purin-1-yl]pentanoic acid Traditional Name: 5-[2,6-diketo-3,9-dimethyl-8-[2-(4-piperidyl)ethyl]purin-1-yl]valeric acid Formula: C19H29N5O4 MolecularWeight: 391.46466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O4/c1-22-14(7-6-13-8-10-20-11-9-13)21-16-17(22)23(2)19(28)24(18(16)27)12-4-3-5-15(25)26/h13,20H,3-12H2,1-2H3,(H,25,26)