GSY

7-(2-HYDROXYETHYL)-8-MERCAPTOGUANINE

Created:	2011-12-22
Last modified:	2014-09-05

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1 entries where GSY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	5

2D diagram of GSY

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Chemical Component Summary
Name	7-(2-HYDROXYETHYL)-8-MERCAPTOGUANINE
Systematic Name (OpenEye OEToolkits)	2-azanyl-7-(2-hydroxyethyl)-8-sulfanyl-1H-purin-6-one
Formula	C₇ H₉ N₅ O₂ S
Molecular Weight	227.244
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c2c(N=C(N1)N)nc(S)n2CCO
SMILES	CACTVS	3.385	NC1=Nc2nc(S)n(CCO)c2C(=O)N1
SMILES	OpenEye OEToolkits	1.9.2	C(CO)n1c2c(nc1S)N=C(NC2=O)N
Canonical SMILES	CACTVS	3.385	NC1=Nc2nc(S)n(CCO)c2C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.9.2	C(CO)n1c2c(nc1S)N=C(NC2=O)N
InChI	InChI	1.03	InChI=1S/C7H9N5O2S/c8-6-9-4-3(5(14)11-6)12(1-2-13)7(15)10-4/h13H,1-2H2,(H4,8,9,10,11,14,15)
InChIKey	InChI	1.03	OYFBJNRCXXDVIZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	70680433, 135566641

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