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

Systemtic Name: 7-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]heptanoic acid Openeye Name: 7-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)heptanoic acid CAS Name: 7-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)heptanoic acid IUPAC Name: 7-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)heptanoic acid Traditional Name: 7-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)enanthic acid Formula: C14H20N4O4 MolecularWeight: 308.333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4/c1-17-12-11(13(21)18(2)14(17)22)15-9(16-12)7-5-3-4-6-8-10(19)20/h3-8H2,1-2H3,(H,15,16)(H,19,20)