2-[(1S)-2,2-dimethyl-1-oxidanyl-propyl]-3-[(2S)-2-phenylaziridin-1-yl]quinazolin-4-one

Systemtic Name: 2-[(1S)-2,2-dimethyl-1-oxidanyl-propyl]-3-[(2S)-2-phenylaziridin-1-yl]quinazolin-4-one Openeye Name: 2-[(1S)-1-hydroxy-2,2-dimethyl-propyl]-3-[(2S)-2-phenylaziridin-1-yl]quinazolin-4-one CAS Name: 2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-[(2S)-2-phenyl-1-aziridinyl]-4-quinazolinone IUPAC Name: 2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-[(2S)-2-phenylaziridin-1-yl]quinazolin-4-one Traditional Name: 2-[(1S)-1-hydroxy-2,2-dimethyl-propyl]-3-[(2S)-2-phenylethylenimin-1-yl]quinazolin-4-one Formula: C21H23N3O2 MolecularWeight: 349.42622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=NC2=CC=CC=C2C(=O)N1N3CC3C4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)[C@@H](C1=NC2=CC=CC=C2C(=O)N1N3C[C@@H]3C4=CC=CC=C4)O

InChI

InChI=1S/C21H23N3O2/c1-21(2,3)18(25)19-22-16-12-8-7-11-15(16)20(26)24(19)23-13-17(23)14-9-5-4-6-10-14/h4-12,17-18,25H,13H2,1-3H3/t17-,18-,23?/m1/s1