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WOI

Summary
Name:4-[(4-fluorophenyl)sulfanyl]-6-methyl-2-phenylpyrimidine-5-carboxylic acid
Formula:C18 H13 F N2 O2 S
Formal charge:0
Formula weight:340.371 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(4-fluorophenyl)sulfanyl]-6-methyl-2-phenylpyrimidine-5-carboxylic acid
OpenEye OEToolkits2.0.74-(4-fluorophenyl)sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1ccc(cc1)Sc1nc(nc(C)c1C(=O)O)c1ccccc1
InChIInChI1.06InChI=1S/C18H13FN2O2S/c1-11-15(18(22)23)17(24-14-9-7-13(19)8-10-14)21-16(20-11)12-5-3-2-4-6-12/h2-10H,1H3,(H,22,23)
InChIKeyInChI1.06RJHSLHDWIDVZDR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1nc(nc(Sc2ccc(F)cc2)c1C(O)=O)c3ccccc3
SMILESCACTVS3.385Cc1nc(nc(Sc2ccc(F)cc2)c1C(O)=O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(c(nc(n1)c2ccccc2)Sc3ccc(cc3)F)C(=O)O
SMILESOpenEye OEToolkits2.0.7Cc1c(c(nc(n1)c2ccccc2)Sc3ccc(cc3)F)C(=O)O

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건을2024-07-10부터공개중

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