6GU

6-chloroguanine

Created:2008-08-26
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count15
Chiral Atom Count0
Bond Count16
Aromatic Bond Count10
2D diagram of 6GU

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Chemical Component Summary

Name6-chloroguanine
Synonyms6-chloro-9H-purin-2-amine
Systematic Name (OpenEye OEToolkits)6-chloro-9H-purin-2-amine
FormulaC5 H4 Cl N5
Molecular Weight169.572
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc2nc(nc1c2ncn1)N
SMILESCACTVS3.341Nc1nc(Cl)c2nc[nH]c2n1
SMILESOpenEye OEToolkits1.5.0c1[nH]c2c(n1)c(nc(n2)N)Cl
Canonical SMILESCACTVS3.341 Nc1nc(Cl)c2nc[nH]c2n1
Canonical SMILESOpenEye OEToolkits1.5.0 c1[nH]c2c(n1)c(nc(n2)N)Cl
InChIInChI1.03 InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
InChIKeyInChI1.03 RYYIULNRIVUMTQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL226396
PubChem 25144, 5360349
ChEMBL CHEMBL226396
ChEBI CHEBI:72345
CCDC/CSD LUPZUR
COD 2013110