methyl (2S)-1-[2-[(1S)-2,2-dimethyl-1-oxidanyl-propyl]-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate

Systemtic Name: methyl (2S)-1-[2-[(1S)-2,2-dimethyl-1-oxidanyl-propyl]-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate Openeye Name: methyl (2S)-1-[2-[(1S)-1-hydroxy-2,2-dimethyl-propyl]-4-oxo-quinazolin-3-yl]aziridine-2-carboxylate CAS Name: (2S)-1-[2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-4-oxo-3-quinazolinyl]-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-4-oxoquinazolin-3-yl]aziridine-2-carboxylate Traditional Name: (2S)-1-[2-[(1S)-1-hydroxy-2,2-dimethyl-propyl]-4-keto-quinazolin-3-yl]ethylenimine-2-carboxylic acid methyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-17(2,3)13(21)14-18-11-8-6-5-7-10(11)15(22)20(14)19-9-12(19)16(23)24-4/h5-8,12-13,21H,9H2,1-4H3/t12-,13+,19?/m0/s1