tert-butyl 1-[2-[1,1-bis(chloranyl)ethyl]-5-methyl-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-[1,1-bis(chloranyl)ethyl]-5-methyl-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate Openeye Name: tert-butyl 1-[2-(1,1-dichloroethyl)-5-methyl-4-oxo-quinazolin-3-yl]aziridine-2-carboxylate CAS Name: 1-[2-(1,1-dichloroethyl)-5-methyl-4-oxo-3-quinazolinyl]-2-aziridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(1,1-dichloroethyl)-5-methyl-4-oxoquinazolin-3-yl]aziridine-2-carboxylate Traditional Name: 1-[2-(1,1-dichloroethyl)-4-keto-5-methyl-quinazolin-3-yl]ethylenimine-2-carboxylic acid tert-butyl ester Formula: C18H21Cl2N3O3 MolecularWeight: 398.28364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)N3CC3C(=O)OC(C)(C)C)C(C)(Cl)Cl

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)N3CC3C(=O)OC(C)(C)C)C(C)(Cl)Cl

InChI

InChI=1S/C18H21Cl2N3O3/c1-10-7-6-8-11-13(10)14(24)23(16(21-11)18(5,19)20)22-9-12(22)15(25)26-17(2,3)4/h6-8,12H,9H2,1-5H3