ethyl (2R,3S)-3-ethyl-1-[2-(2-methylpropyl)-4-oxidanylidene-quinazolin-3-yl]-3-phenyl-aziridine-2-carboxylate

Systemtic Name: ethyl (2R,3S)-3-ethyl-1-[2-(2-methylpropyl)-4-oxidanylidene-quinazolin-3-yl]-3-phenyl-aziridine-2-carboxylate Openeye Name: ethyl (2R,3S)-3-ethyl-1-(2-isobutyl-4-oxo-quinazolin-3-yl)-3-phenyl-aziridine-2-carboxylate CAS Name: (2R,3S)-3-ethyl-1-[2-(2-methylpropyl)-4-oxo-3-quinazolinyl]-3-phenyl-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-ethyl-1-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-3-phenylaziridine-2-carboxylate Traditional Name: (2R,3S)-3-ethyl-1-(2-isobutyl-4-keto-quinazolin-3-yl)-3-phenyl-ethylenimine-2-carboxylic acid ethyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N1N2C(=NC3=CC=CC=C3C2=O)CC(C)C)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CC[C@@]1([C@@H](N1N2C(=NC3=CC=CC=C3C2=O)CC(C)C)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3/c1-5-25(18-12-8-7-9-13-18)22(24(30)31-6-2)28(25)27-21(16-17(3)4)26-20-15-11-10-14-19(20)23(27)29/h7-15,17,22H,5-6,16H2,1-4H3/t22-,25-,28?/m0/s1