TKG

1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone

Created:	2020-03-24
Last modified:	2024-09-27

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1 entries where TKG is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	6

2D diagram of TKG

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Chemical Component Summary
Name	1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone
Systematic Name (OpenEye OEToolkits)	~{N}-(6-ethanoyl-4-oxidanylidene-3~{H}-pteridin-2-yl)ethanamide
Formula	C₁₀ H₉ N₅ O₃
Molecular Weight	247.21
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C)(NC1=Nc2c(C(=O)N1)nc(cn2)C(C)=O)=O
SMILES	CACTVS	3.385	CC(=O)NC1=Nc2ncc(nc2C(=O)N1)C(C)=O
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)c1cnc2c(n1)C(=O)NC(=N2)NC(=O)C
Canonical SMILES	CACTVS	3.385	CC(=O)NC1=Nc2ncc(nc2C(=O)N1)C(C)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)c1cnc2c(n1)C(=O)NC(=N2)NC(=O)C
InChI	InChI	1.03	InChI=1S/C10H9N5O3/c1-4(16)6-3-11-8-7(13-6)9(18)15-10(14-8)12-5(2)17/h3H,1-2H3,(H2,11,12,14,15,17,18)
InChIKey	InChI	1.03	OMULKSTUKAPZMF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	148794349

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