7KO

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

Created:	2016-11-04
Last modified:	2017-10-25

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2 entries where 7KO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	18

2D diagram of 7KO

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Chemical Component Summary
Name	6-chloro-N~4~,N~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)	6-chloranyl-~{N}4,~{N}4-bis(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
Formula	C₁₆ H₁₅ Cl N₆
Molecular Weight	326.784
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(nc(nc1Cl)N)N(Cc2cccnc2)Cc3cnccc3
SMILES	CACTVS	3.385	Nc1nc(Cl)cc(n1)N(Cc2cccnc2)Cc3cccnc3
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cnc1)CN(Cc2cccnc2)c3cc(nc(n3)N)Cl
Canonical SMILES	CACTVS	3.385	Nc1nc(Cl)cc(n1)N(Cc2cccnc2)Cc3cccnc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cnc1)CN(Cc2cccnc2)c3cc(nc(n3)N)Cl
InChI	InChI	1.03	InChI=1S/C16H15ClN6/c17-14-7-15(22-16(18)21-14)23(10-12-3-1-5-19-8-12)11-13-4-2-6-20-9-13/h1-9H,10-11H2,(H2,18,21,22)
InChIKey	InChI	1.03	JDMRUOFJLDXEIQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	131704450

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