4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoranyl-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoranyl-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoro-N-(2-pyridylmethyl)benzamide CAS Name: 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluoro-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluoro-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 2-fluoro-4-[(4-keto-2,7-dimethyl-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-(2-pyridylmethyl)benzamide Formula: C27H24FN5O2 MolecularWeight: 469.510163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=CC(=C(C=C3)C(=O)NCC4=CC=CC=N4)F

Isomeric SMILES

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=CC(=C(C=C3)C(=O)NCC4=CC=CC=N4)F

InChI

InChI=1S/C27H24FN5O2/c1-4-11-33(16-19-13-23-25(12-17(19)2)31-18(3)32-27(23)35)21-8-9-22(24(28)14-21)26(34)30-15-20-7-5-6-10-29-20/h1,5-10,12-14H,11,15-16H2,2-3H3,(H,30,34)(H,31,32,35)