methyl 3-[(3S)-3-azanyl-4-methoxy-4-oxidanylidene-butyl]-1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)aziridine-2-carboxylate

Systemtic Name: methyl 3-[(3S)-3-azanyl-4-methoxy-4-oxidanylidene-butyl]-1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)aziridine-2-carboxylate Openeye Name: methyl 3-[(3S)-3-amino-4-methoxy-4-oxo-butyl]-1-(2-ethyl-4-oxo-quinazolin-3-yl)aziridine-2-carboxylate CAS Name: 3-[(3S)-3-amino-4-methoxy-4-oxobutyl]-1-(2-ethyl-4-oxo-3-quinazolinyl)-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3S)-3-amino-4-methoxy-4-oxobutyl]-1-(2-ethyl-4-oxoquinazolin-3-yl)aziridine-2-carboxylate Traditional Name: 3-[(3S)-3-amino-4-keto-4-methoxy-butyl]-1-(2-ethyl-4-keto-quinazolin-3-yl)ethylenimine-2-carboxylic acid methyl ester Formula: C19H24N4O5 MolecularWeight: 388.41766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=O)N1N3C(C3C(=O)OC)CC[C@@H](C(=O)OC)N

InChI

InChI=1S/C19H24N4O5/c1-4-15-21-13-8-6-5-7-11(13)17(24)23(15)22-14(16(22)19(26)28-3)10-9-12(20)18(25)27-2/h5-8,12,14,16H,4,9-10,20H2,1-3H3/t12-,14?,16?,22?/m0/s1