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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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count28
Aromatic Bond Count6
2D diagram of TKG

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Chemical Component Summary

Name1-[[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
FormulaC10 H9 N5 O3
Molecular Weight247.21
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(C)(NC1=Nc2c(C(=O)N1)nc(cn2)C(C)=O)=O
SMILESCACTVS3.385CC(=O)NC1=Nc2ncc(nc2C(=O)N1)C(C)=O
SMILESOpenEye OEToolkits2.0.7CC(=O)c1cnc2c(n1)C(=O)NC(=N2)NC(=O)C
Canonical SMILESCACTVS3.385 CC(=O)NC1=Nc2ncc(nc2C(=O)N1)C(C)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC(=O)c1cnc2c(n1)C(=O)NC(=N2)NC(=O)C
InChIInChI1.03 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)
InChIKeyInChI1.03 OMULKSTUKAPZMF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 148794349