2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate; (3-butoxy-2-oxidanyl-propyl)-bis(2-hydroxyethyl)azanium

Systemtic Name: 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate; (3-butoxy-2-oxidanyl-propyl)-bis(2-hydroxyethyl)azanium Openeye Name: (3-butoxy-2-hydroxy-propyl)-bis(2-hydroxyethyl)ammonium; 2,4-dioxo-1H-pyrimidine-6-carboxylate CAS Name: (3-butoxy-2-hydroxypropyl)-bis(2-hydroxyethyl)ammonium; 2,4-dioxo-1H-pyrimidine-6-carboxylate IUPAC Name: (3-butoxy-2-hydroxypropyl)-bis(2-hydroxyethyl)azanium; 2,4-dioxo-1H-pyrimidine-6-carboxylate Traditional Name: (3-butoxy-2-hydroxy-propyl)-bis(2-hydroxyethyl)ammonium; orotate Formula: C16H29N3O8 MolecularWeight: 391.41676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(C[NH+](CCO)CCO)O.C1=C(NC(=O)NC1=O)C(=O)[O-]

Isomeric SMILES

CCCCOCC(C[NH+](CCO)CCO)O.C1=C(NC(=O)NC1=O)C(=O)[O-]

InChI

InChI=1S/C11H25NO4.C5H4N2O4/c1-2-3-8-16-10-11(15)9-12(4-6-13)5-7-14;8-3-1-2(4(9)10)6-5(11)7-3/h11,13-15H,2-10H2,1H3;1H,(H,9,10)(H2,6,7,8,11)