NHU

2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide

Created:2012-01-25
Last modified:  2012-01-25

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count44
Aromatic Bond Count18
2D diagram of NHU

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Chemical Component Summary

Name2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide
Systematic Name (OpenEye OEToolkits)2-[[2-[(4-aminocarbonylphenyl)amino]pyrimidin-4-yl]amino]benzamide
FormulaC18 H16 N6 O2
Molecular Weight348.359
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N)c1ccccc1Nc2nc(ncc2)Nc3ccc(C(=O)N)cc3
SMILESCACTVS3.370NC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(N)=O)n2)cc1
SMILESOpenEye OEToolkits1.7.6c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N
Canonical SMILESCACTVS3.370 NC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(N)=O)n2)cc1
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N
InChIInChI1.03 InChI=1S/C18H16N6O2/c19-16(25)11-5-7-12(8-6-11)22-18-21-10-9-15(24-18)23-14-4-2-1-3-13(14)17(20)26/h1-10H,(H2,19,25)(H2,20,26)(H2,21,22,23,24)
InChIKeyInChI1.03 DYZNHQCKJOEZRJ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 60138156
ChEMBL CHEMBL2170596