77O

6-chloro-N-[(furan-2-yl)methyl]pyrazin-2-amine

Created:	2016-09-08
Last modified:	2016-10-26

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1 entries where 77O is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	11

2D diagram of 77O

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Chemical Component Summary
Name	6-chloro-N-[(furan-2-yl)methyl]pyrazin-2-amine
Systematic Name (OpenEye OEToolkits)	6-chloranyl-~{N}-(furan-2-ylmethyl)pyrazin-2-amine
Formula	C₉ H₈ Cl N₃ O
Molecular Weight	209.632
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1ncc(Cl)nc1NCc2ccco2
SMILES	CACTVS	3.385	Clc1cncc(NCc2occc2)n1
SMILES	OpenEye OEToolkits	2.0.6	c1cc(oc1)CNc2cncc(n2)Cl
Canonical SMILES	CACTVS	3.385	Clc1cncc(NCc2occc2)n1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(oc1)CNc2cncc(n2)Cl
InChI	InChI	1.03	InChI=1S/C9H8ClN3O/c10-8-5-11-6-9(13-8)12-4-7-2-1-3-14-7/h1-3,5-6H,4H2,(H,12,13)
InChIKey	InChI	1.03	PEEZSSNXCUTRPK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	21919348
ChEMBL	CHEMBL3954262

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