3-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]pyridine-2-carboxylic acid

Systemtic Name: 3-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]pyridine-2-carboxylic acid Openeye Name: 3-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]pyridine-2-carboxylic acid CAS Name: 3-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-pyridinecarboxylic acid IUPAC Name: 3-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]pyridine-2-carboxylic acid Traditional Name: 3-[(4-keto-2,7-dimethyl-1H-quinazolin-6-yl)methyl-propargyl-amino]picolinic acid Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=C(N=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=C(N=CC=C3)C(=O)O

InChI

InChI=1S/C20H18N4O3/c1-4-8-24(17-6-5-7-21-18(17)20(26)27)11-14-10-15-16(9-12(14)2)22-13(3)23-19(15)25/h1,5-7,9-10H,8,11H2,2-3H3,(H,26,27)(H,22,23,25)