I6R

6-ethyl-1H-pyrimidine-2,4-dione

Created:	2022-02-15
Last modified:	2022-08-22

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1 entries where I6R is found as a standalone ligand

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

2D diagram of I6R

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Chemical Component Summary
Name	6-ethyl-1H-pyrimidine-2,4-dione
Systematic Name (OpenEye OEToolkits)	6-ethyl-1~{H}-pyrimidine-2,4-dione
Formula	C₆ H₈ N₂ O₂
Molecular Weight	140.14
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC1=CC(=O)NC(=O)N1
SMILES	OpenEye OEToolkits	2.0.7	CCC1=CC(=O)NC(=O)N1
Canonical SMILES	CACTVS	3.385	CCC1=CC(=O)NC(=O)N1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC1=CC(=O)NC(=O)N1
InChI	InChI	1.06	InChI=1S/C6H8N2O2/c1-2-4-3-5(9)8-6(10)7-4/h3H,2H2,1H3,(H2,7,8,9,10)
InChIKey	InChI	1.06	JKUXMZDHLUUPGG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	246001

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