OAW

2-amino-4-methyl-8-(1-methylethyl)-6-(1H-pyrazol-4-yl)pteridin-7(8H)-one

Created:2010-08-11
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count38
Aromatic Bond Count11
2D diagram of OAW

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

Name2-amino-4-methyl-8-(1-methylethyl)-6-(1H-pyrazol-4-yl)pteridin-7(8H)-one
Systematic Name (OpenEye OEToolkits)2-azanyl-4-methyl-8-propan-2-yl-6-(1H-pyrazol-4-yl)pteridin-7-one
FormulaC13 H15 N7 O
Molecular Weight285.305
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2C(=Nc1c(nc(nc1C)N)N2C(C)C)c3cnnc3
SMILESCACTVS3.370CC(C)N1C(=O)C(=Nc2c(C)nc(N)nc12)c3c[nH]nc3
SMILESOpenEye OEToolkits1.7.0Cc1c2c(nc(n1)N)N(C(=O)C(=N2)c3c[nH]nc3)C(C)C
Canonical SMILESCACTVS3.370 CC(C)N1C(=O)C(=Nc2c(C)nc(N)nc12)c3c[nH]nc3
Canonical SMILESOpenEye OEToolkits1.7.0 Cc1c2c(nc(n1)N)N(C(=O)C(=N2)c3c[nH]nc3)C(C)C
InChIInChI1.03 InChI=1S/C13H15N7O/c1-6(2)20-11-9(7(3)17-13(14)19-11)18-10(12(20)21)8-4-15-16-5-8/h4-6H,1-3H3,(H,15,16)(H2,14,17,19)
InChIKeyInChI1.03 YIFGKPFEGAUADP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1234917
PubChem 46891889
ChEMBL CHEMBL1234917