3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-keto-quinazoline-7-carboxamide Formula: C21H18F2N6O3 MolecularWeight: 440.402826

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H18F2N6O3/c1-12(29-11-26-18-6-13(19(24)30)2-4-15(18)20(29)31)21(32,8-28-10-25-9-27-28)16-5-3-14(22)7-17(16)23/h2-7,9-12,32H,8H2,1H3,(H2,24,30)