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

Systemtic Name: 6-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]hexanoic acid Openeye Name: 6-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)hexanoic acid CAS Name: 6-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)hexanoic acid IUPAC Name: 6-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)hexanoic acid Traditional Name: 6-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)hexanoic acid Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4/c1-16-11-10(12(20)17(2)13(16)21)14-8(15-11)6-4-3-5-7-9(18)19/h3-7H2,1-2H3,(H,14,15)(H,18,19)