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

Systemtic Name: 3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-6-(4-methylsulfonylphenyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-6-(4-methylsulfonylphenyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6-(4-methylsulfonylphenyl)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6-(4-methylsulfonylphenyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-6-(4-mesylphenyl)thieno[3,2-d]pyrimidin-4-one Formula: C25H21F2N5O4S2 MolecularWeight: 557.592146

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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)S(=O)(=O)C

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)S(=O)(=O)C

InChI

InChI=1S/C25H21F2N5O4S2/c1-15(25(34,11-31-13-28-12-30-31)19-8-5-17(26)9-20(19)27)32-14-29-21-10-22(37-23(21)24(32)33)16-3-6-18(7-4-16)38(2,35)36/h3-10,12-15,34H,11H2,1-2H3