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

Systemtic Name: 3-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoranyl-benzaldehyde Openeye Name: 3-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoro-benzaldehyde CAS Name: 3-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzaldehyde IUPAC Name: 3-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzaldehyde Traditional Name: 2-fluoro-3-[(4-keto-2,7-dimethyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzaldehyde Formula: C21H18FN3O2 MolecularWeight: 363.384923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=CC=CC(=C3F)C=O

Isomeric SMILES

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=CC=CC(=C3F)C=O

InChI

InChI=1S/C21H18FN3O2/c1-4-8-25(19-7-5-6-15(12-26)20(19)22)11-16-10-17-18(9-13(16)2)23-14(3)24-21(17)27/h1,5-7,9-10,12H,8,11H2,2-3H3,(H,23,24,27)