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

Systemtic Name: 2-[(1S)-2,2-dimethyl-1-oxidanyl-propyl]-3-[(2S)-2-methyl-2-phenyl-aziridin-1-yl]quinazolin-4-one Openeye Name: 2-[(1S)-1-hydroxy-2,2-dimethyl-propyl]-3-[(2S)-2-methyl-2-phenyl-aziridin-1-yl]quinazolin-4-one CAS Name: 2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-[(2S)-2-methyl-2-phenyl-1-aziridinyl]-4-quinazolinone IUPAC Name: 2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-[(2S)-2-methyl-2-phenylaziridin-1-yl]quinazolin-4-one Traditional Name: 2-[(1S)-1-hydroxy-2,2-dimethyl-propyl]-3-[(2S)-2-methyl-2-phenyl-ethylenimin-1-yl]quinazolin-4-one Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN1N2C(=O)C3=CC=CC=C3N=C2C(C(C)(C)C)O)C4=CC=CC=C4

Isomeric SMILES

C[C@@]1(CN1N2C(=O)C3=CC=CC=C3N=C2[C@H](C(C)(C)C)O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2/c1-21(2,3)18(26)19-23-17-13-9-8-12-16(17)20(27)25(19)24-14-22(24,4)15-10-6-5-7-11-15/h5-13,18,26H,14H2,1-4H3/t18-,22-,24?/m1/s1