K8C

2-methylsulfanylpyrimidine-4-carbaldehyde

Created:	2022-09-12
Last modified:	2023-12-27

Find Related PDB Entry
1 entries where K8C is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	6

2D diagram of K8C

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-methylsulfanylpyrimidine-4-carbaldehyde
Systematic Name (OpenEye OEToolkits)	2-methylsulfanylpyrimidine-4-carbaldehyde
Formula	C₆ H₆ N₂ O S
Molecular Weight	154.19
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CSc1nccc(C=O)n1
SMILES	OpenEye OEToolkits	2.0.7	CSc1nccc(n1)C=O
Canonical SMILES	CACTVS	3.385	CSc1nccc(C=O)n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CSc1nccc(n1)C=O
InChI	InChI	1.06	InChI=1S/C6H6N2OS/c1-10-6-7-3-2-5(4-9)8-6/h2-4H,1H3
InChIKey	InChI	1.06	QGJXHPACBLAFFJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	15407008

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.