WOI

4-[(4-fluorophenyl)sulfanyl]-6-methyl-2-phenylpyrimidine-5-carboxylic acid

Created:	2023-05-15
Last modified:	2023-06-14

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1 entries where WOI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	18

2D diagram of WOI

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Chemical Component Summary
Name	4-[(4-fluorophenyl)sulfanyl]-6-methyl-2-phenylpyrimidine-5-carboxylic acid
Systematic Name (OpenEye OEToolkits)	4-(4-fluorophenyl)sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid
Formula	C₁₈ H₁₃ F N₂ O₂ S
Molecular Weight	340.371
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc(cc1)Sc1nc(nc(C)c1C(=O)O)c1ccccc1
SMILES	CACTVS	3.385	Cc1nc(nc(Sc2ccc(F)cc2)c1C(O)=O)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(nc(n1)c2ccccc2)Sc3ccc(cc3)F)C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1nc(nc(Sc2ccc(F)cc2)c1C(O)=O)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(nc(n1)c2ccccc2)Sc3ccc(cc3)F)C(=O)O
InChI	InChI	1.06	InChI=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)
InChIKey	InChI	1.06	RJHSLHDWIDVZDR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168300925

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