2-acetamidopentanedioic acid; 5-(hydroxymethyl)-6-methyl-1H-pyrimidine-2,4-dione

Systemtic Name: 2-acetamidopentanedioic acid; 5-(hydroxymethyl)-6-methyl-1H-pyrimidine-2,4-dione Openeye Name: 2-acetamidopentanedioic acid; 5-(hydroxymethyl)-6-methyl-1H-pyrimidine-2,4-dione CAS Name: 2-acetamidopentanedioic acid; 5-(hydroxymethyl)-6-methyl-1H-pyrimidine-2,4-dione IUPAC Name: 2-acetamidopentanedioic acid; 5-(hydroxymethyl)-6-methyl-1H-pyrimidine-2,4-dione Traditional Name: 2-acetamidoglutaric acid; 6-methyl-5-methylol-uracil Formula: C13H19N3O8 MolecularWeight: 345.30526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=O)N1)CO.CC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=O)NC(=O)N1)CO.CC(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C7H11NO5.C6H8N2O3/c1-4(9)8-5(7(12)13)2-3-6(10)11;1-3-4(2-9)5(10)8-6(11)7-3/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);9H,2H2,1H3,(H2,7,8,10,11)