5-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]pyridine-2-carboxylic acid

Systemtic Name: 5-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]pyridine-2-carboxylic acid Openeye Name: 5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]pyridine-2-carboxylic acid CAS Name: 5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-pyridinecarboxylic acid IUPAC Name: 5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]pyridine-2-carboxylic acid Traditional Name: 5-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]picolinic acid Formula: C19H16N4O3 MolecularWeight: 348.35534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CN=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CN=C(C=C3)C(=O)O

InChI

InChI=1S/C19H16N4O3/c1-3-8-23(14-5-7-17(19(25)26)20-10-14)11-13-4-6-16-15(9-13)18(24)22-12(2)21-16/h1,4-7,9-10H,8,11H2,2H3,(H,25,26)(H,21,22,24)