6GH

N~4~,N~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine

Created:	2016-04-06
Last modified:	2017-03-08

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1 entries where 6GH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	23

2D diagram of 6GH

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Chemical Component Summary
Name	N~4~,N~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)	~{N}4,~{N}4-bis(pyridin-2-ylmethyl)-6-thiophen-3-yl-pyrimidine-2,4-diamine
Formula	C₂₀ H₁₈ N₆ S
Molecular Weight	374.462
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4c(CN(c2cc(c1ccsc1)nc(n2)N)Cc3ccccn3)nccc4
SMILES	CACTVS	3.385	Nc1nc(cc(n1)c2cscc2)N(Cc3ccccn3)Cc4ccccn4
SMILES	OpenEye OEToolkits	2.0.4	c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4
Canonical SMILES	CACTVS	3.385	Nc1nc(cc(n1)c2cscc2)N(Cc3ccccn3)Cc4ccccn4
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4
InChI	InChI	1.03	InChI=1S/C20H18N6S/c21-20-24-18(15-7-10-27-14-15)11-19(25-20)26(12-16-5-1-3-8-22-16)13-17-6-2-4-9-23-17/h1-11,14H,12-13H2,(H2,21,24,25)
InChIKey	InChI	1.03	GNKFSGIISAKKRV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	124220259

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