methyl (2R)-1-[2-[(2S)-3,3-dimethylbutan-2-yl]-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate

Systemtic Name: methyl (2R)-1-[2-[(2S)-3,3-dimethylbutan-2-yl]-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate Openeye Name: methyl (2R)-1-[4-oxo-2-[(1S)-1,2,2-trimethylpropyl]quinazolin-3-yl]aziridine-2-carboxylate CAS Name: (2R)-1-[2-[(2S)-3,3-dimethylbutan-2-yl]-4-oxo-3-quinazolinyl]-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[2-[(2S)-3,3-dimethylbutan-2-yl]-4-oxoquinazolin-3-yl]aziridine-2-carboxylate Traditional Name: (2R)-1-[4-keto-2-[(1S)-1,2,2-trimethylpropyl]quinazolin-3-yl]ethylenimine-2-carboxylic acid methyl ester Formula: C18H23N3O3 MolecularWeight: 329.39352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=O)N1N3CC3C(=O)OC)C(C)(C)C

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2C(=O)N1N3C[C@@H]3C(=O)OC)C(C)(C)C

InChI

InChI=1S/C18H23N3O3/c1-11(18(2,3)4)15-19-13-9-7-6-8-12(13)16(22)21(15)20-10-14(20)17(23)24-5/h6-9,11,14H,10H2,1-5H3/t11-,14-,20?/m1/s1