UGJ

3,6-Diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile

Created:	2012-11-27
Last modified:	2014-09-05

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1 entries where UGJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	16

2D diagram of UGJ

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Chemical Component Summary
Name	3,6-Diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
Systematic Name (OpenEye OEToolkits)	3,6-bis(azanyl)-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
Formula	C₁₅ H₈ Cl N₅ S
Molecular Weight	325.776
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc3ccccc3c1c(C#N)c(nc2sc(C#N)c(c12)N)N
SMILES	CACTVS	3.385	Nc1nc2sc(C#N)c(N)c2c(c3ccccc3Cl)c1C#N
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(c(c1)c2c(c(nc3c2c(c(s3)C#N)N)N)C#N)Cl
Canonical SMILES	CACTVS	3.385	Nc1nc2sc(C#N)c(N)c2c(c3ccccc3Cl)c1C#N
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(c(c1)c2c(c(nc3c2c(c(s3)C#N)N)N)C#N)Cl
InChI	InChI	1.03	InChI=1S/C15H8ClN5S/c16-9-4-2-1-3-7(9)11-8(5-17)14(20)21-15-12(11)13(19)10(6-18)22-15/h1-4H,19H2,(H2,20,21)
InChIKey	InChI	1.03	ZYCDWPCMXHYGRS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	51348276
ChEMBL	CHEMBL2313832

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