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]-N'-cyano-benzenecarboximidamide

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]-N'-cyano-benzenecarboximidamide Openeye Name: N'-cyano-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]benzamidine CAS Name: N'-cyano-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]benzenecarboximidamide IUPAC Name: N'-cyano-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]benzenecarboximidamide Traditional Name: N'-cyano-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]benzamidine Formula: C26H20F2N8O2S MolecularWeight: 546.551206

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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(=NC#N)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(=NC#N)N

InChI

InChI=1S/C26H20F2N8O2S/c1-15(26(38,10-35-13-31-12-34-35)19-7-6-18(27)8-20(19)28)36-14-33-21-9-22(39-23(21)25(36)37)16-2-4-17(5-3-16)24(30)32-11-29/h2-9,12-15,38H,10H2,1H3,(H2,30,32)