3-[(2R)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-7-fluoranyl-quinazolin-4-one

Systemtic Name: 3-[(2R)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-7-fluoranyl-quinazolin-4-one Openeye Name: 3-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-7-fluoro-quinazolin-4-one CAS Name: 3-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-7-fluoro-4-quinazolinone IUPAC Name: 3-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one Traditional Name: 3-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-7-fluoro-quinazolin-4-one Formula: C21H23FN2O3 MolecularWeight: 370.417323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O3/c1-21(2,3)14-4-7-17(8-5-14)27-12-16(25)11-24-13-23-19-10-15(22)6-9-18(19)20(24)26/h4-10,13,16,25H,11-12H2,1-3H3/t16-/m1/s1