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

Systemtic Name: methyl (2S)-1-[2-[(1S)-2,2-dimethyl-1-oxidanyl-propyl]-4-oxidanylidene-quinazolin-3-yl]-2-methyl-aziridine-2-carboxylate Openeye Name: methyl (2S)-1-[2-[(1S)-1-hydroxy-2,2-dimethyl-propyl]-4-oxo-quinazolin-3-yl]-2-methyl-aziridine-2-carboxylate CAS Name: (2S)-1-[2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-4-oxo-3-quinazolinyl]-2-methyl-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-4-oxoquinazolin-3-yl]-2-methylaziridine-2-carboxylate Traditional Name: (2S)-1-[2-[(1S)-1-hydroxy-2,2-dimethyl-propyl]-4-keto-quinazolin-3-yl]-2-methyl-ethylenimine-2-carboxylic acid methyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN1N2C(=O)C3=CC=CC=C3N=C2C(C(C)(C)C)O)C(=O)OC

Isomeric SMILES

C[C@]1(CN1N2C(=O)C3=CC=CC=C3N=C2[C@H](C(C)(C)C)O)C(=O)OC

InChI

InChI=1S/C18H23N3O4/c1-17(2,3)13(22)14-19-12-9-7-6-8-11(12)15(23)21(14)20-10-18(20,4)16(24)25-5/h6-9,13,22H,10H2,1-5H3/t13-,18+,20?/m1/s1