3-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]propanoic acid

Systemtic Name: 3-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]propanoic acid Openeye Name: 3-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)propanoic acid CAS Name: 3-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)propanoic acid IUPAC Name: 3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)propanoic acid Traditional Name: 3-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)propionic acid Formula: C11H14N4O4 MolecularWeight: 266.25326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCC(=O)O

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCC(=O)O

InChI

InChI=1S/C11H14N4O4/c1-13-6(4-5-7(16)17)12-9-8(13)10(18)15(3)11(19)14(9)2/h4-5H2,1-3H3,(H,16,17)