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

Systemtic Name: 3-[3-methyl-2,6-bis(oxidanylidene)-7H-purin-1-yl]propanoic acid Openeye Name: 3-(3-methyl-2,6-dioxo-7H-purin-1-yl)propanoic acid CAS Name: 3-(3-methyl-2,6-dioxo-7H-purin-1-yl)propanoic acid IUPAC Name: 3-(3-methyl-2,6-dioxo-7H-purin-1-yl)propanoic acid Traditional Name: 3-(2,6-diketo-3-methyl-7H-purin-1-yl)propionic acid Formula: C9H10N4O4 MolecularWeight: 238.2001

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCC(=O)O)NC=N2

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCC(=O)O)NC=N2

InChI

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