7DG

7-DEAZAGUANINE

Created:2001-05-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count18
Aromatic Bond Count0
2D diagram of 7DG

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Chemical Component Summary

Name7-DEAZAGUANINE
Systematic Name (OpenEye OEToolkits)2-amino-3,5-dihydropyrrolo[3,2-e]pyrimidin-4-one
FormulaC6 H6 N4 O
Molecular Weight150.138
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2C1=C(N=CC1)N=C(N2)N
SMILESCACTVS3.341NC1=NC2=C(CC=N2)C(=O)N1
SMILESOpenEye OEToolkits1.5.0C1C=NC2=C1C(=O)NC(=N2)N
Canonical SMILESCACTVS3.341 NC1=NC2=C(CC=N2)C(=O)N1
Canonical SMILESOpenEye OEToolkits1.5.0 C1C=NC2=C1C(=O)NC(=N2)N
InChIInChI1.03 InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h2H,1H2,(H3,7,9,10,11)
InChIKeyInChI1.03 LOSIULRWFAEMFL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB02245 
Name7-Deazaguanine
Groups experimental
Synonyms7-Deazaguanine
Categories
  • Heterocyclic Compounds, Fused-Ring
  • Purines
  • Purinones
  • Xanthine derivatives
CAS number7355-55-7

Related Resource References

Resource NameReference
PubChem 135497479, 5287552, 4470573
ChEMBL CHEMBL219544
CCDC/CSD WUGCEI, NULCII