YL3

({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid

Created:2013-07-18
Last modified:  2014-06-25

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count38
Aromatic Bond Count16
2D diagram of YL3

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

Name({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid
Systematic Name (OpenEye OEToolkits)[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methylphosphonic acid
FormulaC14 H14 N3 O3 P S
Molecular Weight335.318
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)CNc1ncnc2sc(cc12)c3ccc(cc3)C
SMILESCACTVS3.385Cc1ccc(cc1)c2sc3ncnc(NC[P](O)(O)=O)c3c2
SMILESOpenEye OEToolkits1.7.6Cc1ccc(cc1)c2cc3c(ncnc3s2)NCP(=O)(O)O
Canonical SMILESCACTVS3.385 Cc1ccc(cc1)c2sc3ncnc(NC[P](O)(O)=O)c3c2
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1ccc(cc1)c2cc3c(ncnc3s2)NCP(=O)(O)O
InChIInChI1.03 InChI=1S/C14H14N3O3PS/c1-9-2-4-10(5-3-9)12-6-11-13(17-8-21(18,19)20)15-7-16-14(11)22-12/h2-7H,8H2,1H3,(H,15,16,17)(H2,18,19,20)
InChIKeyInChI1.03 XFTKJMGEXNVSAO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 74766013
ChEMBL CHEMBL3299047