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

Systemtic Name: methyl (2R,3R)-1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)-3-[(1R)-1-oxidanylpropyl]aziridine-2-carboxylate Openeye Name: methyl (2R,3R)-1-(2-ethyl-4-oxo-quinazolin-3-yl)-3-[(1R)-1-hydroxypropyl]aziridine-2-carboxylate CAS Name: (2R,3R)-1-(2-ethyl-4-oxo-3-quinazolinyl)-3-[(1R)-1-hydroxypropyl]-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2R,3R)-1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(1R)-1-hydroxypropyl]aziridine-2-carboxylate Traditional Name: (2R,3R)-1-(2-ethyl-4-keto-quinazolin-3-yl)-3-[(1R)-1-hydroxypropyl]ethylenimine-2-carboxylic acid methyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-4-12(21)14-15(17(23)24-3)20(14)19-13(5-2)18-11-9-7-6-8-10(11)16(19)22/h6-9,12,14-15,21H,4-5H2,1-3H3/t12-,14+,15-,20?/m1/s1