85W

5-oxidanyl-2-[4,5,7-tris(oxidanyl)naphthalen-2-yl]-1H-pyrimidin-6-one

Created:	2023-07-13
Last modified:	2025-01-15

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1 entries where 85W is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	11

2D diagram of 85W

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Chemical Component Summary
Name	5-oxidanyl-2-[4,5,7-tris(oxidanyl)naphthalen-2-yl]-1H-pyrimidin-6-one
Synonyms	5-oxidanyl-2-[4,5,7-tris(oxidanyl)naphthalen-2-yl]-1~{H}-pyrimidin-6-one
Systematic Name (OpenEye OEToolkits)	5-oxidanyl-2-[4,5,7-tris(oxidanyl)naphthalen-2-yl]-1~{H}-pyrimidin-6-one
Formula	C₁₄ H₁₀ N₂ O₅
Molecular Weight	286.24
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1cc(O)c2c(O)cc(cc2c1)C3=NC=C(O)C(=O)N3
SMILES	OpenEye OEToolkits	2.0.7	c1c2cc(cc(c2c(cc1C3=NC=C(C(=O)N3)O)O)O)O
Canonical SMILES	CACTVS	3.385	Oc1cc(O)c2c(O)cc(cc2c1)C3=NC=C(O)C(=O)N3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c2cc(cc(c2c(cc1C3=NC=C(C(=O)N3)O)O)O)O
InChI	InChI	1.06	InChI=1S/C14H10N2O5/c17-8-2-6-1-7(3-9(18)12(6)10(19)4-8)13-15-5-11(20)14(21)16-13/h1-5,17-20H,(H,15,16,21)
InChIKey	InChI	1.06	ZRYLCHISGNOMOQ-UHFFFAOYSA-N

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.