6-bromanyl-3-[(2S)-2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[(2S)-2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]quinazolin-4-one Openeye Name: 3-[(2S)-3-(2-allylphenoxy)-2-hydroxy-propyl]-6-bromo-quinazolin-4-one CAS Name: 6-bromo-3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-4-quinazolinone IUPAC Name: 6-bromo-3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]quinazolin-4-one Traditional Name: 3-[(2S)-3-(2-allylphenoxy)-2-hydroxy-propyl]-6-bromo-quinazolin-4-one Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC(CN2C=NC3=C(C2=O)C=C(C=C3)Br)O

Isomeric SMILES

C=CCC1=CC=CC=C1OC[C@H](CN2C=NC3=C(C2=O)C=C(C=C3)Br)O

InChI

InChI=1S/C20H19BrN2O3/c1-2-5-14-6-3-4-7-19(14)26-12-16(24)11-23-13-22-18-9-8-15(21)10-17(18)20(23)25/h2-4,6-10,13,16,24H,1,5,11-12H2/t16-/m0/s1