RCSB PDB - OYG Ligand Summary Page

OYG

6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione

Created: 2019-07-18
Last modified:  2024-09-27

Find related ligands:

Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count24
Aromatic Bond Count0
2D diagram of OYG

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Chemical Component Summary

Name6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)6-methyl-5-[(~{E})-3-oxidanylidenebut-1-enyl]-1~{H}-pyrimidine-2,4-dione
FormulaC9 H10 N2 O3
Molecular Weight194.187
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01N1C(NC(C([C@H]=[C@H]C(C)=O)=C1C)=O)=O
SMILESCACTVS3.385CC(=O)C=CC1=C(C)NC(=O)NC1=O
SMILESOpenEye OEToolkits2.0.7CC1=C(C(=O)NC(=O)N1)C=CC(=O)C
Canonical SMILESCACTVS3.385 CC(=O)/C=C/C1=C(C)NC(=O)NC1=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)C
InChIInChI1.03 InChI=1S/C9H10N2O3/c1-5(12)3-4-7-6(2)10-9(14)11-8(7)13/h3-4H,1-2H3,(H2,10,11,13,14)/b4-3+
InChIKeyInChI1.03 BUVNCCASAGRUIE-ONEGZZNKSA-N

Related Resource References

Resource NameReference
PubChem 145946112