4-[3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-6-yl]benzamide

Systemtic Name: 4-[3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-6-yl]benzamide Openeye Name: 4-[3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-oxo-thieno[3,2-d]pyrimidin-6-yl]benzamide CAS Name: 4-[3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxo-6-thieno[3,2-d]pyrimidinyl]benzamide IUPAC Name: 4-[3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-6-yl]benzamide Traditional Name: 4-[3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-keto-thieno[3,2-d]pyrimidin-6-yl]benzamide Formula: C25H20F2N6O3S MolecularWeight: 522.526506

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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)SC(=C4)C5=CC=C(C=C5)C(=O)N

Isomeric SMILES

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)SC(=C4)C5=CC=C(C=C5)C(=O)N

InChI

InChI=1S/C25H20F2N6O3S/c1-14(25(36,10-32-12-29-11-31-32)18-7-6-17(26)8-19(18)27)33-13-30-20-9-21(37-22(20)24(33)35)15-2-4-16(5-3-15)23(28)34/h2-9,11-14,36H,10H2,1H3,(H2,28,34)