68C

5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide

Created:	2016-02-16
Last modified:	2016-03-23

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1 entries where 68C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	10

2D diagram of 68C

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Chemical Component Summary
Name	5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Systematic Name (OpenEye OEToolkits)	5-methyl-4-oxidanylidene-~{N}-(1,3,4-thiadiazol-2-yl)-3~{H}-thieno[2,3-d]pyrimidine-6-carboxamide
Formula	C₁₀ H₇ N₅ O₂ S₂
Molecular Weight	293.325
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c31N=CNC(c1c(C)c(C(=O)Nc2scnn2)s3)=O
SMILES	CACTVS	3.385	Cc1c(sc2N=CNC(=O)c12)C(=O)Nc3scnn3
SMILES	OpenEye OEToolkits	2.0.4	Cc1c2c(sc1C(=O)Nc3nncs3)N=CNC2=O
Canonical SMILES	CACTVS	3.385	Cc1c(sc2N=CNC(=O)c12)C(=O)Nc3scnn3
Canonical SMILES	OpenEye OEToolkits	2.0.4	Cc1c2c(sc1C(=O)Nc3nncs3)N=CNC2=O
InChI	InChI	1.03	InChI=1S/C10H7N5O2S2/c1-4-5-7(16)11-2-12-9(5)19-6(4)8(17)14-10-15-13-3-18-10/h2-3H,1H3,(H,11,12,16)(H,14,15,17)
InChIKey	InChI	1.03	CDWYKQOLMLZLKK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3794222
PubChem	118797287
ChEMBL	CHEMBL3794222

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.