QOK

7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione

Created:2020-07-13
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count36
Aromatic Bond Count5
2D diagram of QOK

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Chemical Component Summary

Name7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione
Systematic Name (OpenEye OEToolkits)7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione
FormulaC11 H16 N4 O4
Molecular Weight268.269
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COCCOCn1cnc2N(C)C(=O)N(C)C(=O)c12
SMILESOpenEye OEToolkits2.0.7CN1c2c(n(cn2)COCCOC)C(=O)N(C1=O)C
Canonical SMILESCACTVS3.385 COCCOCn1cnc2N(C)C(=O)N(C)C(=O)c12
Canonical SMILESOpenEye OEToolkits2.0.7 CN1c2c(n(cn2)COCCOC)C(=O)N(C1=O)C
InChIInChI1.03 InChI=1S/C11H16N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)7-19-5-4-18-3/h6H,4-5,7H2,1-3H3
InChIKeyInChI1.03 BSIZPWZVMIVPIN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 155804504