2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate; (1-oxidanyl-1-phenyl-propan-2-yl)azanium

Systemtic Name: 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate; (1-oxidanyl-1-phenyl-propan-2-yl)azanium Openeye Name: 2,4-dioxo-1H-pyrimidine-6-carboxylate; (2-hydroxy-1-methyl-2-phenyl-ethyl)ammonium CAS Name: 2,4-dioxo-1H-pyrimidine-6-carboxylate; (1-hydroxy-1-phenylpropan-2-yl)ammonium IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylate; (1-hydroxy-1-phenylpropan-2-yl)azanium Traditional Name: (2-hydroxy-1-methyl-2-phenyl-ethyl)ammonium; orotate Formula: C14H17N3O5 MolecularWeight: 307.30188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[NH3+].C1=C(NC(=O)NC1=O)C(=O)[O-]

Isomeric SMILES

CC(C(C1=CC=CC=C1)O)[NH3+].C1=C(NC(=O)NC1=O)C(=O)[O-]

InChI

InChI=1S/C9H13NO.C5H4N2O4/c1-7(10)9(11)8-5-3-2-4-6-8;8-3-1-2(4(9)10)6-5(11)7-3/h2-7,9,11H,10H2,1H3;1H,(H,9,10)(H2,6,7,8,11)