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

Systemtic Name: 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate; methyl-(2-methyl-1-phenyl-propan-2-yl)azanium Openeye Name: (1,1-dimethyl-2-phenyl-ethyl)-methyl-ammonium; 2,4-dioxo-1H-pyrimidine-6-carboxylate CAS Name: 2,4-dioxo-1H-pyrimidine-6-carboxylate; methyl-(2-methyl-1-phenylpropan-2-yl)ammonium IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylate; methyl-(2-methyl-1-phenylpropan-2-yl)azanium Traditional Name: (1,1-dimethyl-2-phenyl-ethyl)-methyl-ammonium; orotate Formula: C16H21N3O4 MolecularWeight: 319.35564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)[NH2+]C.C1=C(NC(=O)NC1=O)C(=O)[O-]

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)[NH2+]C.C1=C(NC(=O)NC1=O)C(=O)[O-]

InChI

InChI=1S/C11H17N.C5H4N2O4/c1-11(2,12-3)9-10-7-5-4-6-8-10;8-3-1-2(4(9)10)6-5(11)7-3/h4-8,12H,9H2,1-3H3;1H,(H,9,10)(H2,6,7,8,11)