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

Systemtic Name: 2-[(1S)-2,2-dimethyl-1-oxidanyl-propyl]-3-[(2S)-2-prop-1-en-2-ylaziridin-1-yl]quinazolin-4-one Openeye Name: 2-[(1S)-1-hydroxy-2,2-dimethyl-propyl]-3-[(2S)-2-isopropenylaziridin-1-yl]quinazolin-4-one CAS Name: 2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-[(2S)-2-(1-methylethenyl)-1-aziridinyl]-4-quinazolinone IUPAC Name: 2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-[(2S)-2-prop-1-en-2-ylaziridin-1-yl]quinazolin-4-one Traditional Name: 2-[(1S)-1-hydroxy-2,2-dimethyl-propyl]-3-[(2S)-2-isopropenylethylenimin-1-yl]quinazolin-4-one Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CN1N2C(=O)C3=CC=CC=C3N=C2C(C(C)(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2/c1-11(2)14-10-20(14)21-16(15(22)18(3,4)5)19-13-9-7-6-8-12(13)17(21)23/h6-9,14-15,22H,1,10H2,2-5H3/t14-,15-,20?/m1/s1