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 | |
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Formal Charge | 0 |
Atom Count | 42 |
Chiral Atom Count | 0 |
Bond Count | 44 |
Aromatic Bond Count | 18 |
Chemical Component Summary | |
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Name | 2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide |
Systematic Name (OpenEye OEToolkits) | 2-[[2-[(4-aminocarbonylphenyl)amino]pyrimidin-4-yl]amino]benzamide |
Formula | C18 H16 N6 O2 |
Molecular Weight | 348.359 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N)c1ccccc1Nc2nc(ncc2)Nc3ccc(C(=O)N)cc3 |
SMILES | CACTVS | 3.370 | NC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(N)=O)n2)cc1 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N |
Canonical SMILES | CACTVS | 3.370 | NC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(N)=O)n2)cc1 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N |
InChI | InChI | 1.03 | 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) |
InChIKey | InChI | 1.03 | DYZNHQCKJOEZRJ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 60138156 |
ChEMBL | CHEMBL2170596 |