5-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]pentanoic acid

Systemtic Name: 5-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]pentanoic acid Openeye Name: 5-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)pentanoic acid CAS Name: 5-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)pentanoic acid IUPAC Name: 5-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)pentanoic acid Traditional Name: 5-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)valeric acid Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4/c1-15-10-9(11(19)16(2)12(15)20)13-7(14-10)5-3-4-6-8(17)18/h3-6H2,1-2H3,(H,13,14)(H,17,18)