3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-(dimethylamino)-6-fluoranyl-quinazolin-4-one

Systemtic Name: 3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-(dimethylamino)-6-fluoranyl-quinazolin-4-one Openeye Name: 3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-7-(dimethylamino)-6-fluoro-quinazolin-4-one CAS Name: 3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-(dimethylamino)-6-fluoro-4-quinazolinone IUPAC Name: 3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-(dimethylamino)-6-fluoroquinazolin-4-one Traditional Name: 3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-7-(dimethylamino)-6-fluoro-quinazolin-4-one Formula: C22H21F3N6O2 MolecularWeight: 458.43635

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=CC(=C(C=C4C3=O)F)N(C)C

Isomeric SMILES

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=CC(=C(C=C4C3=O)F)N(C)C

InChI

InChI=1S/C22H21F3N6O2/c1-13(31-12-27-19-8-20(29(2)3)18(25)7-15(19)21(31)32)22(33,9-30-11-26-10-28-30)16-5-4-14(23)6-17(16)24/h4-8,10-13,33H,9H2,1-3H3