2-azanyl-1-(2-carboxyethyl)-6-oxidanylidene-pyrimidine-4-carboxylic acid

Systemtic Name: 2-azanyl-1-(2-carboxyethyl)-6-oxidanylidene-pyrimidine-4-carboxylic acid Openeye Name: 2-amino-1-(2-carboxyethyl)-6-oxo-pyrimidine-4-carboxylic acid CAS Name: 2-amino-1-(2-carboxyethyl)-6-oxo-4-pyrimidinecarboxylic acid IUPAC Name: 2-amino-1-(2-carboxyethyl)-6-oxopyrimidine-4-carboxylic acid Traditional Name: 2-amino-1-(2-carboxyethyl)-6-keto-pyrimidine-4-carboxylic acid Formula: C8H9N3O5 MolecularWeight: 227.17416

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(N(C1=O)CCC(=O)O)N)C(=O)O

Isomeric SMILES

C1=C(N=C(N(C1=O)CCC(=O)O)N)C(=O)O

InChI

InChI=1S/C8H9N3O5/c9-8-10-4(7(15)16)3-5(12)11(8)2-1-6(13)14/h3H,1-2H2,(H2,9,10)(H,13,14)(H,15,16)