8MW

2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Created:	2017-02-13
Last modified:	2018-02-28

Find Related PDB Entry
1 entries where 8MW is found as a standalone ligand

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	29
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	10

2D diagram of 8MW

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid
Formula	C₁₂ H₁₂ N₂ O₂ S
Molecular Weight	248.301
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1nc(nc2sc(C(O)=O)c(C)c12)C3CC3
SMILES	OpenEye OEToolkits	2.0.6	Cc1c2c(nc(nc2sc1C(=O)O)C3CC3)C
Canonical SMILES	CACTVS	3.385	Cc1nc(nc2sc(C(O)=O)c(C)c12)C3CC3
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1c2c(nc(nc2sc1C(=O)O)C3CC3)C
InChI	InChI	1.03	InChI=1S/C12H12N2O2S/c1-5-8-6(2)13-10(7-3-4-7)14-11(8)17-9(5)12(15)16/h7H,3-4H2,1-2H3,(H,15,16)
InChIKey	InChI	1.03	SQXQFDZJONADBV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	17480730

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.