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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2C)CCC(=O)O

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2C)CCC(=O)O

InChI

InChI=1S/C11H14N4O4/c1-3-14-6-12-9-8(14)10(18)15(5-4-7(16)17)11(19)13(9)2/h6H,3-5H2,1-2H3,(H,16,17)