(4-aminocarbonyl-1H-imidazol-5-yl)azanium; 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate; dihydrate

Systemtic Name: (4-aminocarbonyl-1H-imidazol-5-yl)azanium; 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate; dihydrate Openeye Name: (4-carbamoyl-1H-imidazol-5-yl)ammonium; 2,4-dioxo-1H-pyrimidine-6-carboxylate; dihydrate CAS Name: (4-carbamoyl-1H-imidazol-5-yl)ammonium; 2,4-dioxo-1H-pyrimidine-6-carboxylate; dihydrate IUPAC Name: (4-carbamoyl-1H-imidazol-5-yl)azanium; 2,4-dioxo-1H-pyrimidine-6-carboxylate; dihydrate Traditional Name: (4-carbamoyl-1H-imidazol-5-yl)ammonium; orotate; dihydrate Formula: C9H14N6O7 MolecularWeight: 318.24346

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=O)NC1=O)C(=O)[O-].C1=NC(=C(N1)[NH3+])C(=O)N.O.O

Isomeric SMILES

C1=C(NC(=O)NC1=O)C(=O)[O-].C1=NC(=C(N1)[NH3+])C(=O)N.O.O

InChI

InChI=1S/C5H4N2O4.C4H6N4O.2H2O/c8-3-1-2(4(9)10)6-5(11)7-3;5-3-2(4(6)9)7-1-8-3;;/h1H,(H,9,10)(H2,6,7,8,11);1H,5H2,(H2,6,9)(H,7,8);2*1H2