7EY

3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid

Created:	2016-10-18
Last modified:	2017-01-18

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3 entries where 7EY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	16

2D diagram of 7EY

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Chemical Component Summary
Name	3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid
Systematic Name (OpenEye OEToolkits)	3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid
Formula	C₁₆ H₁₄ N₂ O₂ S₂
Molecular Weight	330.425
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(cc1)c2csc3ncnc(SCCC(O)=O)c23
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1)c2csc3c2c(ncn3)SCCC(=O)O
Canonical SMILES	CACTVS	3.385	Cc1ccc(cc1)c2csc3ncnc(SCCC(O)=O)c23
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1)c2csc3c2c(ncn3)SCCC(=O)O
InChI	InChI	1.03	InChI=1S/C16H14N2O2S2/c1-10-2-4-11(5-3-10)12-8-22-16-14(12)15(17-9-18-16)21-7-6-13(19)20/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKey	InChI	1.03	RAOULLCLLOGTDA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1536915
ChEMBL	CHEMBL1689369

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