3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-(dimethylamino)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)quinazolin-4-one Openeye Name: 3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-7-(dimethylamino)quinazolin-4-one CAS Name: 3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-(dimethylamino)-4-quinazolinone IUPAC Name: 3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-(dimethylamino)quinazolin-4-one Traditional Name: 3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-7-(dimethylamino)quinazolin-4-one Formula: C22H22F2N6O2 MolecularWeight: 440.445886

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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=C(C3=O)C=CC(=C4)N(C)C

Isomeric SMILES

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)C=CC(=C4)N(C)C

InChI

InChI=1S/C22H22F2N6O2/c1-14(30-13-26-20-9-16(28(2)3)5-6-17(20)21(30)31)22(32,10-29-12-25-11-27-29)18-7-4-15(23)8-19(18)24/h4-9,11-14,32H,10H2,1-3H3