2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-3-ium-3-yl]butanoic acid

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-3-ium-3-yl]butanoic acid Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-3-ium-3-yl)butanoic acid CAS Name: 2-(3,7-dimethyl-2,6-dioxo-3-purin-3-iumyl)butanoic acid IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-3-ium-3-yl)butanoic acid Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-3-ium-3-yl)butyric acid Formula: C11H15N4O4+ MolecularWeight: 267.2612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)[N+]1(C2=C(C(=O)NC1=O)N(C=N2)C)C

Isomeric SMILES

CCC(C(=O)O)[N+]1(C2=C(C(=O)NC1=O)N(C=N2)C)C

InChI

InChI=1S/C11H14N4O4/c1-4-6(10(17)18)15(3)8-7(14(2)5-12-8)9(16)13-11(15)19/h5-6H,4H2,1-3H3,(H-,13,16,17,18,19)/p+1