2-oxidanylidene-6-pyridin-3-yl-1H-pyrimidine-5-carboxylic acid hydrate

Systemtic Name: 2-oxidanylidene-6-pyridin-3-yl-1H-pyrimidine-5-carboxylic acid hydrate Openeye Name: 2-oxo-6-(3-pyridyl)-1H-pyrimidine-5-carboxylic acid hydrate CAS Name: 2-oxo-6-(3-pyridinyl)-1H-pyrimidine-5-carboxylic acid hydrate IUPAC Name: 2-oxo-6-pyridin-3-yl-1H-pyrimidine-5-carboxylic acid hydrate Traditional Name: 2-keto-6-(3-pyridyl)-1H-pyrimidine-5-carboxylic acid hydrate Formula: C10H9N3O4 MolecularWeight: 235.19616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=C(C=NC(=O)N2)C(=O)O.O

Isomeric SMILES

C1=CC(=CN=C1)C2=C(C=NC(=O)N2)C(=O)O.O

InChI

InChI=1S/C10H7N3O3.H2O/c14-9(15)7-5-12-10(16)13-8(7)6-2-1-3-11-4-6;/h1-5H,(H,14,15)(H,12,13,16);1H2