2-ethyl-4-[1-methyl-2,6-bis(oxidanylidene)-7H-purin-3-yl]butanoic acid

Systemtic Name: 2-ethyl-4-[1-methyl-2,6-bis(oxidanylidene)-7H-purin-3-yl]butanoic acid Openeye Name: 2-ethyl-4-(1-methyl-2,6-dioxo-7H-purin-3-yl)butanoic acid CAS Name: 2-ethyl-4-(1-methyl-2,6-dioxo-7H-purin-3-yl)butanoic acid IUPAC Name: 2-ethyl-4-(1-methyl-2,6-dioxo-7H-purin-3-yl)butanoic acid Traditional Name: 4-(2,6-diketo-1-methyl-7H-purin-3-yl)-2-ethyl-butyric acid Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN1C2=C(C(=O)N(C1=O)C)NC=N2)C(=O)O

Isomeric SMILES

CCC(CCN1C2=C(C(=O)N(C1=O)C)NC=N2)C(=O)O

InChI

InChI=1S/C12H16N4O4/c1-3-7(11(18)19)4-5-16-9-8(13-6-14-9)10(17)15(2)12(16)20/h6-7H,3-5H2,1-2H3,(H,13,14)(H,18,19)