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

Systemtic Name: methyl (2R)-1-[2-[(1S)-2-methyl-1-oxidanyl-propyl]-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate Openeye Name: methyl (2R)-1-[2-[(1S)-1-hydroxy-2-methyl-propyl]-4-oxo-quinazolin-3-yl]aziridine-2-carboxylate CAS Name: (2R)-1-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxo-3-quinazolinyl]-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]aziridine-2-carboxylate Traditional Name: (2R)-1-[2-[(1S)-1-hydroxy-2-methyl-propyl]-4-keto-quinazolin-3-yl]ethylenimine-2-carboxylic acid methyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-9(2)13(20)14-17-11-7-5-4-6-10(11)15(21)19(14)18-8-12(18)16(22)23-3/h4-7,9,12-13,20H,8H2,1-3H3/t12-,13+,18?/m1/s1