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

Systemtic Name: 3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-6-fluoranyl-7-(4-methylpiperazin-1-yl)quinazolin-4-one Openeye Name: 3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-6-fluoro-7-(4-methylpiperazin-1-yl)quinazolin-4-one CAS Name: 3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6-fluoro-7-(4-methyl-1-piperazinyl)-4-quinazolinone IUPAC Name: 3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6-fluoro-7-(4-methylpiperazin-1-yl)quinazolin-4-one Traditional Name: 3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-6-fluoro-7-(4-methylpiperazino)quinazolin-4-one Formula: C25H26F3N7O2 MolecularWeight: 513.51485

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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)N5CCN(CC5)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)N5CCN(CC5)C

InChI

InChI=1S/C25H26F3N7O2/c1-16(25(37,12-34-14-29-13-31-34)19-4-3-17(26)9-20(19)27)35-15-30-22-11-23(21(28)10-18(22)24(35)36)33-7-5-32(2)6-8-33/h3-4,9-11,13-16,37H,5-8,12H2,1-2H3