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

Systemtic Name: 3-[8-(hydroxymethyl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanoic acid Openeye Name: 3-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-purin-7-yl]propanoic acid CAS Name: 3-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-7-purinyl]propanoic acid IUPAC Name: 3-[8-(hydroxymethyl)-3-methyl-2,6-dioxopurin-7-yl]propanoic acid Traditional Name: 3-(2,6-diketo-3-methyl-8-methylol-purin-7-yl)propionic acid Formula: C10H12N4O5 MolecularWeight: 268.22608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CO)CCC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CO)CCC(=O)O

InChI

InChI=1S/C10H12N4O5/c1-13-8-7(9(18)12-10(13)19)14(3-2-6(16)17)5(4-15)11-8/h15H,2-4H2,1H3,(H,16,17)(H,12,18,19)