8-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]octanoic acid

Systemtic Name: 8-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]octanoic acid Openeye Name: 8-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)octanoic acid CAS Name: 8-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)octanoic acid IUPAC Name: 8-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)octanoic acid Traditional Name: 8-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)caprylic acid Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCCCCC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCCCCC(=O)O

InChI

InChI=1S/C15H22N4O4/c1-18-13-12(14(22)19(2)15(18)23)16-10(17-13)8-6-4-3-5-7-9-11(20)21/h3-9H2,1-2H3,(H,16,17)(H,20,21)