QBK

5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione

Created:	2020-06-02
Last modified:	2020-12-09

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2 entries where QBK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	0

2D diagram of QBK

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Chemical Component Summary
Name	5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione
Systematic Name (OpenEye OEToolkits)	5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione
Formula	C₅ H₂ N₄ O₂ S
Molecular Weight	182.16
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC1=NC(=O)C2=NC(=O)SC2=N1
SMILES	OpenEye OEToolkits	2.0.7	C12=NC(=O)SC1=NC(=NC2=O)N
Canonical SMILES	CACTVS	3.385	NC1=NC(=O)C2=NC(=O)SC2=N1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C12=NC(=O)SC1=NC(=NC2=O)N
InChI	InChI	1.03	InChI=1S/C5H2N4O2S/c6-4-8-2(10)1-3(9-4)12-5(11)7-1/h(H2,6,8,10)
InChIKey	InChI	1.03	AXABAVYDNQCEBU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155804488

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.