UAY

7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione

Created:	2020-05-06
Last modified:	2020-05-20

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1 entries where UAY 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	11

2D diagram of UAY

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Chemical Component Summary
Name	7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione
Systematic Name (OpenEye OEToolkits)	7-azanylidene-2-phenyl-thieno[3,2-c]pyridine-4,6-dione
Formula	C₁₃ H₈ N₂ O₂ S
Molecular Weight	256.28
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(ccccc1)c3sc\2c(C(NC(C/2=N)=O)=O)c3
SMILES	CACTVS	3.385	N=C1C(=O)NC(=O)c2cc(sc12)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2cc3c(s2)C(=N)C(=O)NC3=O
Canonical SMILES	CACTVS	3.385	N=C1C(=O)NC(=O)c2cc(sc12)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	[H]/N=C\1/c2c(cc(s2)c3ccccc3)C(=O)NC1=O
InChI	InChI	1.03	InChI=1S/C13H8N2O2S/c14-10-11-8(12(16)15-13(10)17)6-9(18-11)7-4-2-1-3-5-7/h1-6,14H,(H,15,16,17)/b14-10-
InChIKey	InChI	1.03	CQHAROORCYWRRH-UVTDQMKNSA-N

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.