3-[[(2R)-2-chloranylbut-3-enyl]amino]-2-[(1S)-2,2-dimethyl-1-oxidanyl-propyl]quinazolin-4-one

Systemtic Name: 3-[[(2R)-2-chloranylbut-3-enyl]amino]-2-[(1S)-2,2-dimethyl-1-oxidanyl-propyl]quinazolin-4-one Openeye Name: 3-[[(2R)-2-chlorobut-3-enyl]amino]-2-[(1S)-1-hydroxy-2,2-dimethyl-propyl]quinazolin-4-one CAS Name: 3-[[(2R)-2-chlorobut-3-enyl]amino]-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-4-quinazolinone IUPAC Name: 3-[[(2R)-2-chlorobut-3-enyl]amino]-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]quinazolin-4-one Traditional Name: 3-[[(2R)-2-chlorobut-3-enyl]amino]-2-[(1S)-1-hydroxy-2,2-dimethyl-propyl]quinazolin-4-one Formula: C17H22ClN3O2 MolecularWeight: 335.82848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=NC2=CC=CC=C2C(=O)N1NCC(C=C)Cl)O

Isomeric SMILES

CC(C)(C)[C@@H](C1=NC2=CC=CC=C2C(=O)N1NC[C@@H](C=C)Cl)O

InChI

InChI=1S/C17H22ClN3O2/c1-5-11(18)10-19-21-15(14(22)17(2,3)4)20-13-9-7-6-8-12(13)16(21)23/h5-9,11,14,19,22H,1,10H2,2-4H3/t11-,14-/m1/s1