WGL

1-cyclohexyl-2-(ethylsulfanyl)pyrimidine-4,6(1H,5H)-dione

Created:	2023-05-12
Last modified:	2023-06-14

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1 entries where WGL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	0

2D diagram of WGL

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Chemical Component Summary
Name	1-cyclohexyl-2-(ethylsulfanyl)pyrimidine-4,6(1H,5H)-dione
Systematic Name (OpenEye OEToolkits)	1-cyclohexyl-2-ethylsulfanyl-pyrimidine-4,6-dione
Formula	C₁₂ H₁₈ N₂ O₂ S
Molecular Weight	254.349
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCSC1=NC(=O)CC(=O)N1C1CCCCC1
SMILES	CACTVS	3.385	CCSC1=NC(=O)CC(=O)N1C2CCCCC2
SMILES	OpenEye OEToolkits	2.0.7	CCSC1=NC(=O)CC(=O)N1C2CCCCC2
Canonical SMILES	CACTVS	3.385	CCSC1=NC(=O)CC(=O)N1C2CCCCC2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCSC1=NC(=O)CC(=O)N1C2CCCCC2
InChI	InChI	1.06	InChI=1S/C12H18N2O2S/c1-2-17-12-13-10(15)8-11(16)14(12)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKey	InChI	1.06	NOSDCGFVVOLULR-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.