JGT

~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine

Created:	2019-02-25
Last modified:	2019-03-27

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1 entries where JGT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	11

2D diagram of JGT

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Chemical Component Summary
Name	~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine
Systematic Name (OpenEye OEToolkits)	~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine
Formula	C₁₄ H₁₄ Br N₃
Molecular Weight	304.185
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cc(Br)c(NC2=NCCN2)c3ccccc13
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c(c2c1cccc2)NC3=NCCN3)Br
Canonical SMILES	CACTVS	3.385	Cc1cc(Br)c(NC2=NCCN2)c3ccccc13
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c(c2c1cccc2)NC3=NCCN3)Br
InChI	InChI	1.03	InChI=1S/C14H14BrN3/c1-9-8-12(15)13(18-14-16-6-7-17-14)11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H2,16,17,18)
InChIKey	InChI	1.03	UYAOIRISFNRFCT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	138753277

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