4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoranyl-N-(1,3-thiazol-5-ylmethyl)benzamide

Systemtic Name: 4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoranyl-N-(1,3-thiazol-5-ylmethyl)benzamide Openeye Name: 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoro-N-(thiazol-5-ylmethyl)benzamide CAS Name: 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluoro-N-(5-thiazolylmethyl)benzamide IUPAC Name: 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluoro-N-(1,3-thiazol-5-ylmethyl)benzamide Traditional Name: 2-fluoro-4-[(4-keto-2,7-dimethyl-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-(thiazol-5-ylmethyl)benzamide Formula: C25H22FN5O2S MolecularWeight: 475.537883

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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=CN=CS4)F

Isomeric SMILES

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=CC(=C(C=C3)C(=O)NCC4=CN=CS4)F

InChI

InChI=1S/C25H22FN5O2S/c1-4-7-31(13-17-9-21-23(8-15(17)2)29-16(3)30-25(21)33)18-5-6-20(22(26)10-18)24(32)28-12-19-11-27-14-34-19/h1,5-6,8-11,14H,7,12-13H2,2-3H3,(H,28,32)(H,29,30,33)