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

Systemtic Name: methyl (2S)-1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)-2-[(1R)-1-oxidanylbutyl]aziridine-2-carboxylate Openeye Name: methyl (2S)-1-(2-ethyl-4-oxo-quinazolin-3-yl)-2-[(1R)-1-hydroxybutyl]aziridine-2-carboxylate CAS Name: (2S)-1-(2-ethyl-4-oxo-3-quinazolinyl)-2-[(1R)-1-hydroxybutyl]-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(2-ethyl-4-oxoquinazolin-3-yl)-2-[(1R)-1-hydroxybutyl]aziridine-2-carboxylate Traditional Name: (2S)-1-(2-ethyl-4-keto-quinazolin-3-yl)-2-[(1R)-1-hydroxybutyl]ethylenimine-2-carboxylic acid methyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1(CN1N2C(=NC3=CC=CC=C3C2=O)CC)C(=O)OC)O

Isomeric SMILES

CCC[C@H]([C@@]1(CN1N2C(=NC3=CC=CC=C3C2=O)CC)C(=O)OC)O

InChI

InChI=1S/C18H23N3O4/c1-4-8-14(22)18(17(24)25-3)11-20(18)21-15(5-2)19-13-10-7-6-9-12(13)16(21)23/h6-7,9-10,14,22H,4-5,8,11H2,1-3H3/t14-,18+,20?/m1/s1