3-[(2S)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]-7-fluoranyl-quinazolin-4-one

Systemtic Name: 3-[(2S)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]-7-fluoranyl-quinazolin-4-one Openeye Name: 3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-7-fluoro-quinazolin-4-one CAS Name: 3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoro-4-quinazolinone IUPAC Name: 3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one Traditional Name: 3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-7-fluoro-quinazolin-4-one Formula: C19H19FN2O3 MolecularWeight: 342.364163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(CN2C=NC3=C(C2=O)C=CC(=C3)F)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC[C@H](CN2C=NC3=C(C2=O)C=CC(=C3)F)O

InChI

InChI=1S/C19H19FN2O3/c1-12-4-3-5-13(2)18(12)25-10-15(23)9-22-11-21-17-8-14(20)6-7-16(17)19(22)24/h3-8,11,15,23H,9-10H2,1-2H3/t15-/m0/s1