EWX

6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7H-purin-8-one

Created:	2020-02-13
Last modified:	2020-11-11

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1 entries where EWX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	12

2D diagram of EWX

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Chemical Component Summary
Name	6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7H-purin-8-one
Systematic Name (OpenEye OEToolkits)	6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7~{H}-purin-8-one
Formula	C₁₄ H₁₆ N₆ O₃
Molecular Weight	316.315
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COCCOc1nc(N)c2NC(=O)N(Cc3cccnc3)c2n1
SMILES	OpenEye OEToolkits	2.0.7	COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3cccnc3)N
Canonical SMILES	CACTVS	3.385	COCCOc1nc(N)c2NC(=O)N(Cc3cccnc3)c2n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3cccnc3)N
InChI	InChI	1.03	InChI=1S/C14H16N6O3/c1-22-5-6-23-13-18-11(15)10-12(19-13)20(14(21)17-10)8-9-3-2-4-16-7-9/h2-4,7H,5-6,8H2,1H3,(H,17,21)(H2,15,18,19)
InChIKey	InChI	1.03	XWTNEKDECZWUJX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	22928870

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