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

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-carbonitrile Openeye Name: 3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-oxo-quinazoline-7-carbonitrile CAS Name: 3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxo-7-quinazolinecarbonitrile IUPAC Name: 3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxoquinazoline-7-carbonitrile Traditional Name: 3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-keto-quinazoline-7-carbonitrile Formula: C21H16F2N6O2 MolecularWeight: 422.387546

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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#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#N

InChI

InChI=1S/C21H16F2N6O2/c1-13(29-12-26-19-6-14(8-24)2-4-16(19)20(29)30)21(31,9-28-11-25-10-27-28)17-5-3-15(22)7-18(17)23/h2-7,10-13,31H,9H2,1H3