WUY

N-(2-aminoethyl)-N'-phenylurea

Created:	2020-11-17
Last modified:	2020-11-25

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1 entries where WUY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

2D diagram of WUY

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Chemical Component Summary
Name	N-(2-aminoethyl)-N'-phenylurea
Systematic Name (OpenEye OEToolkits)	1-(2-azanylethyl)-3-phenyl-urea
Formula	C₉ H₁₃ N₃ O
Molecular Weight	179.219
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1ccc(NC(NCCN)=O)cc1
SMILES	CACTVS	3.385	NCCNC(=O)Nc1ccccc1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)NC(=O)NCCN
Canonical SMILES	CACTVS	3.385	NCCNC(=O)Nc1ccccc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)NC(=O)NCCN
InChI	InChI	1.03	InChI=1S/C9H13N3O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H2,11,12,13)
InChIKey	InChI	1.03	YZKMURMKJCXVIE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	12681829

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.