OEZ

~{N}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide

Created:	2020-03-02
Last modified:	2021-03-31

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1 entries where OEZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	16

2D diagram of OEZ

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Chemical Component Summary
Name	~{N}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide
Formula	C₂₁ H₂₁ N₃ O₃
Molecular Weight	363.41
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(cc1c2cc(n3cccnc23)C(C)=O)C(=O)NC4CCC4
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)C(=O)NC4CCC4
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1c2cc(n3cccnc23)C(C)=O)C(=O)NC4CCC4
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)C(=O)NC4CCC4
InChI	InChI	1.03	InChI=1S/C21H21N3O3/c1-13(25)18-12-17(20-22-9-4-10-24(18)20)16-11-14(7-8-19(16)27-2)21(26)23-15-5-3-6-15/h4,7-12,15H,3,5-6H2,1-2H3,(H,23,26)
InChIKey	InChI	1.03	ZVDRWJICVNPHJL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155818884

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.