tert-butyl 1-[5-tert-butyl-4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]aziridine-2-carboxylate

Systemtic Name: tert-butyl 1-[5-tert-butyl-4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]aziridine-2-carboxylate Openeye Name: tert-butyl 1-[5-tert-butyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]aziridine-2-carboxylate CAS Name: 1-[5-tert-butyl-4-oxo-2-(trifluoromethyl)-3-quinazolinyl]-2-aziridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[5-tert-butyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]aziridine-2-carboxylate Traditional Name: 1-[5-tert-butyl-4-keto-2-(trifluoromethyl)quinazolin-3-yl]ethylenimine-2-carboxylic acid tert-butyl ester Formula: C20H24F3N3O3 MolecularWeight: 411.41807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=CC=C1)N=C(N(C2=O)N3CC3C(=O)OC(C)(C)C)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=C2C(=CC=C1)N=C(N(C2=O)N3CC3C(=O)OC(C)(C)C)C(F)(F)F

InChI

InChI=1S/C20H24F3N3O3/c1-18(2,3)11-8-7-9-12-14(11)15(27)26(17(24-12)20(21,22)23)25-10-13(25)16(28)29-19(4,5)6/h7-9,13H,10H2,1-6H3