GUW

~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide

Created:	2018-10-11
Last modified:	2024-09-27

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1 entries where GUW is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	16

2D diagram of GUW

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Chemical Component Summary
Name	~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide
Systematic Name (OpenEye OEToolkits)	~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide
Formula	C₁₆ H₁₄ N₄ O₂
Molecular Weight	294.308
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ncnc2[nH]cc(c3cccc(NC(=O)C=C)c3)c12
SMILES	OpenEye OEToolkits	2.0.6	COc1c2c(c[nH]c2ncn1)c3cccc(c3)NC(=O)C=C
Canonical SMILES	CACTVS	3.385	COc1ncnc2[nH]cc(c3cccc(NC(=O)C=C)c3)c12
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1c2c(c[nH]c2ncn1)c3cccc(c3)NC(=O)C=C
InChI	InChI	1.03	InChI=1S/C16H14N4O2/c1-3-13(21)20-11-6-4-5-10(7-11)12-8-17-15-14(12)16(22-2)19-9-18-15/h3-9H,1H2,2H3,(H,20,21)(H,17,18,19)
InChIKey	InChI	1.03	ZUUXJSSZHCHQQR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	145945999

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.