2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate; (3-methyl-3-oxidanyl-oxan-2-yl)-(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)azanium

Systemtic Name: 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate; (3-methyl-3-oxidanyl-oxan-2-yl)-(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)azanium Openeye Name: (1-carboxy-3-methyl-butyl)-(3-hydroxy-3-methyl-tetrahydropyran-2-yl)ammonium; 2,4-dioxo-1H-pyrimidine-6-carboxylate CAS Name: 2,4-dioxo-1H-pyrimidine-6-carboxylate; (3-hydroxy-3-methyl-2-oxanyl)-(1-hydroxy-4-methyl-1-oxopentan-2-yl)ammonium IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylate; (3-hydroxy-3-methyloxan-2-yl)-(1-hydroxy-4-methyl-1-oxopentan-2-yl)azanium Traditional Name: (1-carboxy-3-methyl-butyl)-(3-hydroxy-3-methyl-tetrahydropyran-2-yl)ammonium; orotate Formula: C17H27N3O8 MolecularWeight: 401.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)[NH2+]C1C(CCCO1)(C)O.C1=C(NC(=O)NC1=O)C(=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)O)[NH2+]C1C(CCCO1)(C)O.C1=C(NC(=O)NC1=O)C(=O)[O-]

InChI

InChI=1S/C12H23NO4.C5H4N2O4/c1-8(2)7-9(10(14)15)13-11-12(3,16)5-4-6-17-11;8-3-1-2(4(9)10)6-5(11)7-3/h8-9,11,13,16H,4-7H2,1-3H3,(H,14,15);1H,(H,9,10)(H2,6,7,8,11)