KD8

6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one

Created:	2019-05-14
Last modified:	2020-04-15

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1 entries where KD8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

2D diagram of KD8

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Chemical Component Summary
Name	6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one
Systematic Name (OpenEye OEToolkits)	6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one
Formula	C₈ H₈ N₄ O S
Molecular Weight	208.24
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1nc2NC(=S)NC(=O)c2nc1C
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(nc2c(n1)C(=O)NC(=S)N2)C
Canonical SMILES	CACTVS	3.385	Cc1nc2NC(=S)NC(=O)c2nc1C
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(nc2c(n1)C(=O)NC(=S)N2)C
InChI	InChI	1.03	InChI=1S/C8H8N4OS/c1-3-4(2)10-6-5(9-3)7(13)12-8(14)11-6/h1-2H3,(H2,10,11,12,13,14)
InChIKey	InChI	1.03	FMPVXDGAZOSEMT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	72984, 5355833, 902201
ChEMBL	CHEMBL1703022

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.