tert-butyl 1-[2-[1,1-bis(chloranyl)ethyl]-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-[1,1-bis(chloranyl)ethyl]-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate Openeye Name: tert-butyl 1-[2-(1,1-dichloroethyl)-4-oxo-quinazolin-3-yl]aziridine-2-carboxylate CAS Name: 1-[2-(1,1-dichloroethyl)-4-oxo-3-quinazolinyl]-2-aziridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(1,1-dichloroethyl)-4-oxoquinazolin-3-yl]aziridine-2-carboxylate Traditional Name: 1-[2-(1,1-dichloroethyl)-4-keto-quinazolin-3-yl]ethylenimine-2-carboxylic acid tert-butyl ester Formula: C17H19Cl2N3O3 MolecularWeight: 384.25706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN1N2C(=O)C3=CC=CC=C3N=C2C(C)(Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1CN1N2C(=O)C3=CC=CC=C3N=C2C(C)(Cl)Cl

InChI

InChI=1S/C17H19Cl2N3O3/c1-16(2,3)25-14(24)12-9-21(12)22-13(23)10-7-5-6-8-11(10)20-15(22)17(4,18)19/h5-8,12H,9H2,1-4H3