3-[(2R,3S)-2-(chloromethyl)-3-phenyl-aziridin-1-yl]-2-[(1S)-2,2-dimethyl-1-oxidanyl-propyl]quinazolin-4-one

Systemtic Name: 3-[(2R,3S)-2-(chloromethyl)-3-phenyl-aziridin-1-yl]-2-[(1S)-2,2-dimethyl-1-oxidanyl-propyl]quinazolin-4-one Openeye Name: 3-[(2R,3S)-2-(chloromethyl)-3-phenyl-aziridin-1-yl]-2-[(1S)-1-hydroxy-2,2-dimethyl-propyl]quinazolin-4-one CAS Name: 3-[(2R,3S)-2-(chloromethyl)-3-phenyl-1-aziridinyl]-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-4-quinazolinone IUPAC Name: 3-[(2R,3S)-2-(chloromethyl)-3-phenylaziridin-1-yl]-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]quinazolin-4-one Traditional Name: 3-[(2R,3S)-2-(chloromethyl)-3-phenyl-ethylenimin-1-yl]-2-[(1S)-1-hydroxy-2,2-dimethyl-propyl]quinazolin-4-one Formula: C22H24ClN3O2 MolecularWeight: 397.89786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=NC2=CC=CC=C2C(=O)N1N3C(C3C4=CC=CC=C4)CCl)O

Isomeric SMILES

CC(C)(C)[C@@H](C1=NC2=CC=CC=C2C(=O)N1N3[C@H]([C@@H]3C4=CC=CC=C4)CCl)O

InChI

InChI=1S/C22H24ClN3O2/c1-22(2,3)19(27)20-24-16-12-8-7-11-15(16)21(28)26(20)25-17(13-23)18(25)14-9-5-4-6-10-14/h4-12,17-19,27H,13H2,1-3H3/t17-,18-,19+,25?/m0/s1