3-(2-hydroxyethyl)-2-methyl-quinazolin-4-one; pyridine-3-carboxylic acid

Systemtic Name: 3-(2-hydroxyethyl)-2-methyl-quinazolin-4-one; pyridine-3-carboxylic acid Openeye Name: 3-(2-hydroxyethyl)-2-methyl-quinazolin-4-one; nicotinic acid CAS Name: 3-(2-hydroxyethyl)-2-methyl-4-quinazolinone; 3-pyridinecarboxylic acid IUPAC Name: 3-(2-hydroxyethyl)-2-methylquinazolin-4-one; pyridine-3-carboxylic acid Traditional Name: 3-(2-hydroxyethyl)-2-methyl-quinazolin-4-one; nicotinic acid Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCO.C1=CC(=CN=C1)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCO.C1=CC(=CN=C1)C(=O)O

InChI

InChI=1S/C11H12N2O2.C6H5NO2/c1-8-12-10-5-3-2-4-9(10)11(15)13(8)6-7-14;8-6(9)5-2-1-3-7-4-5/h2-5,14H,6-7H2,1H3;1-4H,(H,8,9)