tert-butyl 4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-methyl-amino]-2-fluoranyl-benzoate

Systemtic Name: tert-butyl 4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-methyl-amino]-2-fluoranyl-benzoate Openeye Name: tert-butyl 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-methyl-amino]-2-fluoro-benzoate CAS Name: 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]-2-fluorobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]-2-fluorobenzoate Traditional Name: 2-fluoro-4-[(4-keto-2,7-dimethyl-1H-quinazolin-6-yl)methyl-methyl-amino]benzoic acid tert-butyl ester Formula: C23H26FN3O3 MolecularWeight: 411.469243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(C)C3=CC(=C(C=C3)C(=O)OC(C)(C)C)F

Isomeric SMILES

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(C)C3=CC(=C(C=C3)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C23H26FN3O3/c1-13-9-20-18(21(28)26-14(2)25-20)10-15(13)12-27(6)16-7-8-17(19(24)11-16)22(29)30-23(3,4)5/h7-11H,12H2,1-6H3,(H,25,26,28)