21W

N-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide

Created:2013-08-22
Last modified:  2013-09-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count49
Aromatic Bond Count16
2D diagram of 21W

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

NameN-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
Systematic Name (OpenEye OEToolkits)N-[[4-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-5-carboxamide
FormulaC19 H18 N6 O2 S
Molecular Weight394.45
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2NC=Nc1scc(c12)C(=O)NCc3ccc(cc3)CNCc4nccn4
SMILESCACTVS3.385O=C(NCc1ccc(CNCc2[nH]ccn2)cc1)c3csc4N=CNC(=O)c34
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1CNCc2[nH]ccn2)CNC(=O)c3csc4c3C(=O)NC=N4
Canonical SMILESCACTVS3.385 O=C(NCc1ccc(CNCc2[nH]ccn2)cc1)c3csc4N=CNC(=O)c34
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc(ccc1CNCc2[nH]ccn2)CNC(=O)c3csc4c3C(=O)NC=N4
InChIInChI1.03 InChI=1S/C19H18N6O2S/c26-17(14-10-28-19-16(14)18(27)24-11-25-19)23-8-13-3-1-12(2-4-13)7-20-9-15-21-5-6-22-15/h1-6,10-11,20H,7-9H2,(H,21,22)(H,23,26)(H,24,25,27)
InChIKeyInChI1.03 RLANZYKQCHLLJS-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 71677803
ChEMBL CHEMBL2432011