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

Systemtic Name: methyl (2R,3S)-2,3-dimethyl-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)-2,3-dimethyl-3-phenyl-aziridine-2-carboxylate CAS Name: (2R,3S)-2,3-dimethyl-1-[2-(2-methylpropyl)-4-oxo-3-quinazolinyl]-3-phenyl-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2R,3S)-2,3-dimethyl-1-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-3-phenylaziridine-2-carboxylate Traditional Name: (2R,3S)-1-(2-isobutyl-4-keto-quinazolin-3-yl)-2,3-dimethyl-3-phenyl-ethylenimine-2-carboxylic acid methyl ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3/c1-16(2)15-20-25-19-14-10-9-13-18(19)21(28)26(20)27-23(3,17-11-7-6-8-12-17)24(27,4)22(29)30-5/h6-14,16H,15H2,1-5H3/t23-,24-,27?/m0/s1