2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; trimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium

Systemtic Name: 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; trimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium Openeye Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid; (4-hydroxy-4-oxo-butyl)-trimethyl-ammonium CAS Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid; (4-hydroxy-4-oxobutyl)-trimethylammonium IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid; (4-hydroxy-4-oxobutyl)-trimethylazanium Traditional Name: (4-hydroxy-4-keto-butyl)-trimethyl-ammonium; orotic acid Formula: C12H20N3O6+ MolecularWeight: 302.3037

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCC(=O)O.C1=C(NC(=O)NC1=O)C(=O)O

Isomeric SMILES

C[N+](C)(C)CCCC(=O)O.C1=C(NC(=O)NC1=O)C(=O)O

InChI

InChI=1S/C7H15NO2.C5H4N2O4/c1-8(2,3)6-4-5-7(9)10;8-3-1-2(4(9)10)6-5(11)7-3/h4-6H2,1-3H3;1H,(H,9,10)(H2,6,7,8,11)/p+1