5-(1-azanylethenyl)-1H-imidazol-4-amine; 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; dihydrate

Systemtic Name: 5-(1-azanylethenyl)-1H-imidazol-4-amine; 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; dihydrate Openeye Name: 5-(1-aminovinyl)-1H-imidazol-4-amine; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid; dihydrate CAS Name: 5-(1-aminoethenyl)-1H-imidazol-4-amine; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid; dihydrate IUPAC Name: 5-(1-aminoethenyl)-1H-imidazol-4-amine; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid; dihydrate Traditional Name: 1-(4-amino-1H-imidazol-5-yl)vinylamine; orotic acid; dihydrate Formula: C10H16N6O6 MolecularWeight: 316.27064

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(N=CN1)N)N.C1=C(NC(=O)NC1=O)C(=O)O.O.O

Isomeric SMILES

C=C(C1=C(N=CN1)N)N.C1=C(NC(=O)NC1=O)C(=O)O.O.O

InChI

InChI=1S/C5H8N4.C5H4N2O4.2H2O/c1-3(6)4-5(7)9-2-8-4;8-3-1-2(4(9)10)6-5(11)7-3;;/h2H,1,6-7H2,(H,8,9);1H,(H,9,10)(H2,6,7,8,11);2*1H2