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

Systemtic Name: methyl (2R,3S)-3-methyl-1-[2-(2-methylpropyl)-4-oxidanylidene-quinazolin-3-yl]-3-phenyl-aziridine-2-carboxylate Openeye Name: methyl (2R,3S)-1-(2-isobutyl-4-oxo-quinazolin-3-yl)-3-methyl-3-phenyl-aziridine-2-carboxylate CAS Name: (2R,3S)-3-methyl-1-[2-(2-methylpropyl)-4-oxo-3-quinazolinyl]-3-phenyl-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2R,3S)-3-methyl-1-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-3-phenylaziridine-2-carboxylate Traditional Name: (2R,3S)-1-(2-isobutyl-4-keto-quinazolin-3-yl)-3-methyl-3-phenyl-ethylenimine-2-carboxylic acid methyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=CC=CC=C2C(=O)N1N3C(C3(C)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)CC1=NC2=CC=CC=C2C(=O)N1N3[C@H]([C@]3(C)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C23H25N3O3/c1-15(2)14-19-24-18-13-9-8-12-17(18)21(27)25(19)26-20(22(28)29-4)23(26,3)16-10-6-5-7-11-16/h5-13,15,20H,14H2,1-4H3/t20-,23-,26?/m0/s1