3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]propanoic acid

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]propanoic acid Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-9-yl)propanoic acid CAS Name: 3-(1,3-dimethyl-2,6-dioxo-9-purinyl)propanoic acid IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-9-yl)propanoic acid Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-9-yl)propionic acid Formula: C10H12N4O4 MolecularWeight: 252.22668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CCC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CCC(=O)O

InChI

InChI=1S/C10H12N4O4/c1-12-8-7(9(17)13(2)10(12)18)11-5-14(8)4-3-6(15)16/h5H,3-4H2,1-2H3,(H,15,16)