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Summary Geometry Related PDB entries

SK6

Summary

Name:	3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile
Formula:	C22 H23 N5
Formal charge:	0
Formula weight:	357.452 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile
OpenEye OEToolkits	1.7.6	3-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]-5-(2-pyridin-2-ylethylamino)benzenecarbonitrile

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#Cc2cc(cc(NCCc1ncccc1)c2)CCc3nc(N)cc(c3)C
InChI	InChI	1.03	InChI=1S/C22H23N5/c1-16-10-20(27-22(24)11-16)6-5-17-12-18(15-23)14-21(13-17)26-9-7-19-4-2-3-8-25-19/h2-4,8,10-14,26H,5-7,9H2,1H3,(H2,24,27)
InChIKey	InChI	1.03	MPQMVSXQSZLJJB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(N)nc(CCc2cc(NCCc3ccccn3)cc(c2)C#N)c1
SMILES	CACTVS	3.385	Cc1cc(N)nc(CCc2cc(NCCc3ccccn3)cc(c2)C#N)c1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)CCc2cc(cc(c2)NCCc3ccccn3)C#N
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)CCc2cc(cc(c2)NCCc3ccccn3)C#N

222415

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