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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]butanoate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)butanoate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)butanoate IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)butanoate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)butyrate Formula: C11H13N4O4- MolecularWeight: 265.24532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(N1)C(=O)N(C(=O)N2C)C)C(=O)[O-]

Isomeric SMILES

CCC(C1=NC2=C(N1)C(=O)N(C(=O)N2C)C)C(=O)[O-]

InChI

InChI=1S/C11H14N4O4/c1-4-5(10(17)18)7-12-6-8(13-7)14(2)11(19)15(3)9(6)16/h5H,4H2,1-3H3,(H,12,13)(H,17,18)/p-1