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

Systemtic Name: 3-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanoic acid Openeye Name: 3-(3-methyl-2,6-dioxo-purin-7-yl)propanoic acid CAS Name: 3-(3-methyl-2,6-dioxo-7-purinyl)propanoic acid IUPAC Name: 3-(3-methyl-2,6-dioxopurin-7-yl)propanoic acid Traditional Name: 3-(2,6-diketo-3-methyl-purin-7-yl)propionic acid Formula: C9H10N4O4 MolecularWeight: 238.2001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O4/c1-12-7-6(8(16)11-9(12)17)13(4-10-7)3-2-5(14)15/h4H,2-3H2,1H3,(H,14,15)(H,11,16,17)