7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione; pyridine-3-carboxylic acid

Systemtic Name: 7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione; pyridine-3-carboxylic acid Openeye Name: 7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione; nicotinic acid CAS Name: 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione; 3-pyridinecarboxylic acid IUPAC Name: 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione; pyridine-3-carboxylic acid Traditional Name: 7-(2-hydroxyethyl)-1,3-dimethyl-xanthine; nicotinic acid Formula: C15H17N5O5 MolecularWeight: 347.32598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO.C1=CC(=CN=C1)C(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO.C1=CC(=CN=C1)C(=O)O

InChI

InChI=1S/C9H12N4O3.C6H5NO2/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7;8-6(9)5-2-1-3-7-4-5/h5,14H,3-4H2,1-2H3;1-4H,(H,8,9)