6JA

2-[5-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl selenocyanate

Created:	2016-05-25
Last modified:	2016-12-21

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1 entries where 6JA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	0

2D diagram of 6JA

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Chemical Component Summary
Name	2-[5-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl selenocyanate
Systematic Name (OpenEye OEToolkits)	2-[5-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl selenocyanate
Formula	C₉ H₁₁ N₃ O₃ Se
Molecular Weight	288.162
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC1(CC[Se]C#N)C(=O)NC(=O)NC1=O
SMILES	OpenEye OEToolkits	2.0.5	CCC1(C(=O)NC(=O)NC1=O)CC[Se]C#N
Canonical SMILES	CACTVS	3.385	CCC1(CC[Se]C#N)C(=O)NC(=O)NC1=O
Canonical SMILES	OpenEye OEToolkits	2.0.5	CCC1(C(=O)NC(=O)NC1=O)CC[Se]C#N
InChI	InChI	1.03	InChI=1S/C9H11N3O3Se/c1-2-9(3-4-16-5-10)6(13)11-8(15)12-7(9)14/h2-4H2,1H3,(H2,11,12,13,14,15)
InChIKey	InChI	1.03	LFTCFIKEJOPJTJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	122707107

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