ZW2

6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

Created:2017-08-16
Last modified:  2018-08-08

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count0
Bond Count31
Aromatic Bond Count11
2D diagram of ZW2

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.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)3-oxidanyl-6-(phenylmethyl)-1~{H}-thieno[2,3-d]pyrimidine-2,4-dione
FormulaC13 H10 N2 O3 S
Molecular Weight274.295
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(=O)N(C(=O)Nc2c1cc(s2)Cc3ccccc3)O
SMILESCACTVS3.385ON1C(=O)Nc2sc(Cc3ccccc3)cc2C1=O
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)Cc2cc3c(s2)NC(=O)N(C3=O)O
Canonical SMILESCACTVS3.385 ON1C(=O)Nc2sc(Cc3ccccc3)cc2C1=O
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc(cc1)Cc2cc3c(s2)NC(=O)N(C3=O)O
InChIInChI1.03 InChI=1S/C13H10N2O3S/c16-12-10-7-9(6-8-4-2-1-3-5-8)19-11(10)14-13(17)15(12)18/h1-5,7,18H,6H2,(H,14,17)
InChIKeyInChI1.03 BATRIMGMBZXTOT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 134693782
ChEMBL CHEMBL4172336