methyl (2R,3R)-1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)-3-(2-methylpropanoyl)aziridine-2-carboxylate

Systemtic Name: methyl (2R,3R)-1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)-3-(2-methylpropanoyl)aziridine-2-carboxylate Openeye Name: methyl (2R,3R)-1-(2-ethyl-4-oxo-quinazolin-3-yl)-3-(2-methylpropanoyl)aziridine-2-carboxylate CAS Name: (2R,3R)-1-(2-ethyl-4-oxo-3-quinazolinyl)-3-(2-methyl-1-oxopropyl)-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2R,3R)-1-(2-ethyl-4-oxoquinazolin-3-yl)-3-(2-methylpropanoyl)aziridine-2-carboxylate Traditional Name: (2R,3R)-1-(2-ethyl-4-keto-quinazolin-3-yl)-3-isobutyryl-ethylenimine-2-carboxylic acid methyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=O)N1N3C(C3C(=O)OC)C(=O)C(C)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=O)N1N3[C@H]([C@@H]3C(=O)OC)C(=O)C(C)C

InChI

InChI=1S/C18H21N3O4/c1-5-13-19-12-9-7-6-8-11(12)17(23)20(13)21-14(16(22)10(2)3)15(21)18(24)25-4/h6-10,14-15H,5H2,1-4H3/t14-,15-,21?/m1/s1