UTQ

3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

Created:	2021-03-17
Last modified:	2022-11-02

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1 entries where UTQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	6

2D diagram of UTQ

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Chemical Component Summary
Name	3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
Synonyms	3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1~{H}-pyrimidine-2,4-dione
Systematic Name (OpenEye OEToolkits)	3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1~{H}-pyrimidine-2,4-dione
Formula	C₁₃ H₁₀ Cl F₃ N₂ O₄
Molecular Weight	350.678
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cc(OC)c(cc1Cl)N2C(=O)NC(=CC2=O)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	COc1cc(c(cc1N2C(=O)C=C(NC2=O)C(F)(F)F)Cl)OC
Canonical SMILES	CACTVS	3.385	COc1cc(OC)c(cc1Cl)N2C(=O)NC(=CC2=O)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1cc(c(cc1N2C(=O)C=C(NC2=O)C(F)(F)F)Cl)OC
InChI	InChI	1.03	InChI=1S/C13H10ClF3N2O4/c1-22-8-4-9(23-2)7(3-6(8)14)19-11(20)5-10(13(15,16)17)18-12(19)21/h3-5H,1-2H3,(H,18,21)
InChIKey	InChI	1.03	GGXGVBQCYFQKID-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	165416262

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