methyl 2-butanoyl-1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)aziridine-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4/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/h6-7,9-10H,4-5,8,11H2,1-3H3