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

Systemtic Name: 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate; [3-(3-methyl-3-oxidanyl-oxan-2-yl)sulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 2,4-dioxo-1H-pyrimidine-6-carboxylate; [2-hydroxy-1-[(3-hydroxy-3-methyl-tetrahydropyran-2-yl)sulfanylmethyl]-2-oxo-ethyl]ammonium CAS Name: 2,4-dioxo-1H-pyrimidine-6-carboxylate; [1-hydroxy-3-[(3-hydroxy-3-methyl-2-oxanyl)thio]-1-oxopropan-2-yl]ammonium IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylate; [1-hydroxy-3-(3-hydroxy-3-methyloxan-2-yl)sulfanyl-1-oxopropan-2-yl]azanium Traditional Name: [2-hydroxy-1-[[(3-hydroxy-3-methyl-tetrahydropyran-2-yl)thio]methyl]-2-keto-ethyl]ammonium; orotate Formula: C14H21N3O8S MolecularWeight: 391.39684

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCOC1SCC(C(=O)O)[NH3+])O.C1=C(NC(=O)NC1=O)C(=O)[O-]

Isomeric SMILES

CC1(CCCOC1SCC(C(=O)O)[NH3+])O.C1=C(NC(=O)NC1=O)C(=O)[O-]

InChI

InChI=1S/C9H17NO4S.C5H4N2O4/c1-9(13)3-2-4-14-8(9)15-5-6(10)7(11)12;8-3-1-2(4(9)10)6-5(11)7-3/h6,8,13H,2-5,10H2,1H3,(H,11,12);1H,(H,9,10)(H2,6,7,8,11)