4-azanyl-1H-imidazole-5-carboxamide; 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; dihydrate

Systemtic Name: 4-azanyl-1H-imidazole-5-carboxamide; 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; dihydrate Openeye Name: 4-amino-1H-imidazole-5-carboxamide; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid; dihydrate CAS Name: 4-amino-1H-imidazole-5-carboxamide; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid; dihydrate IUPAC Name: 4-amino-1H-imidazole-5-carboxamide; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid; dihydrate Traditional Name: 4-amino-1H-imidazole-5-carboxamide; orotic acid; dihydrate Formula: C9H14N6O7 MolecularWeight: 318.24346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=O)NC1=O)C(=O)O.C1=NC(=C(N1)C(=O)N)N.O.O

Isomeric SMILES

C1=C(NC(=O)NC1=O)C(=O)O.C1=NC(=C(N1)C(=O)N)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