WHC

1~{H}-1,3,5-triazine-2,4-dione

Created:	2023-10-03
Last modified:	2024-09-18

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2 entries where WHC is found as a standalone ligand

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

2D diagram of WHC

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Chemical Component Summary
Name	1~{H}-1,3,5-triazine-2,4-dione
Synonyms	5-azauracil
Systematic Name (OpenEye OEToolkits)	1~{H}-1,3,5-triazine-2,4-dione
Formula	C₃ H₃ N₃ O₂
Molecular Weight	113.075
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1NC=NC(=O)N1
SMILES	OpenEye OEToolkits	2.0.7	C1=NC(=O)NC(=O)N1
Canonical SMILES	CACTVS	3.385	O=C1NC=NC(=O)N1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1=NC(=O)NC(=O)N1
InChI	InChI	1.06	InChI=1S/C3H3N3O2/c7-2-4-1-5-3(8)6-2/h1H,(H2,4,5,6,7,8)
InChIKey	InChI	1.06	GEWRKGDRYZIFNP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	6275

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.