KBQ

2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

Created:	2019-05-10
Last modified:	2020-04-15

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1 entries where KBQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	5

2D diagram of KBQ

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Chemical Component Summary
Name	2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Systematic Name (OpenEye OEToolkits)	2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Formula	C₆ H₅ N₃ O S
Molecular Weight	167.188
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1NC(=S)Nc2[nH]ccc12
SMILES	OpenEye OEToolkits	2.0.7	c1c[nH]c2c1C(=O)NC(=S)N2
Canonical SMILES	CACTVS	3.385	O=C1NC(=S)Nc2[nH]ccc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c[nH]c2c1C(=O)NC(=S)N2
InChI	InChI	1.03	InChI=1S/C6H5N3OS/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)
InChIKey	InChI	1.03	QCZHCRBHXAFBDJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	230746, 4091939
ChEMBL	CHEMBL471165

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.