3-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]pyridine-2-carboxylic acid

Systemtic Name: 3-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]pyridine-2-carboxylic acid Openeye Name: 3-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]pyridine-2-carboxylic acid CAS Name: 3-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-pyridinecarboxylic acid IUPAC Name: 3-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]pyridine-2-carboxylic acid Traditional Name: 3-[(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=C(N=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

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