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

Systemtic Name: 2-[(1S)-2-methyl-1-oxidanyl-propyl]-3-[(2S)-2-phenylaziridin-1-yl]quinazolin-4-one Openeye Name: 2-[(1S)-1-hydroxy-2-methyl-propyl]-3-[(2S)-2-phenylaziridin-1-yl]quinazolin-4-one CAS Name: 2-[(1S)-1-hydroxy-2-methylpropyl]-3-[(2S)-2-phenyl-1-aziridinyl]-4-quinazolinone IUPAC Name: 2-[(1S)-1-hydroxy-2-methylpropyl]-3-[(2S)-2-phenylaziridin-1-yl]quinazolin-4-one Traditional Name: 2-[(1S)-1-hydroxy-2-methyl-propyl]-3-[(2S)-2-phenylethylenimin-1-yl]quinazolin-4-one Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2/c1-13(2)18(24)19-21-16-11-7-6-10-15(16)20(25)23(19)22-12-17(22)14-8-4-3-5-9-14/h3-11,13,17-18,24H,12H2,1-2H3/t17-,18+,22?/m1/s1