NDM

7,9-DIMETHYLGUANINE

Created: 2001-08-29
Last modified:  2011-06-04

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Chemical Details

Formal Charge1
Atom Count27
Chiral Atom Count2
Bond Count28
Aromatic Bond Count5
2D diagram of NDM
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Chemical Component Summary

Name7,9-DIMETHYLGUANINE
Systematic Name (OpenEye OEToolkits)2-amino-7,9-dimethyl-1,2,3,6-tetrahydropurin-7-ium-6-ol
FormulaC7 H14 N5 O
Molecular Weight184.219
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04OC2c1[n+](cn(c1NC(N)N2)C)C
SMILESCACTVS3.341Cn1c[n+](C)c2[CH](O)N[CH](N)Nc12
SMILESOpenEye OEToolkits1.5.0Cn1c[n+](c2c1NC(NC2O)N)C
Canonical SMILESCACTVS3.341 Cn1c[n+](C)c2[C@H](O)N[C@H](N)Nc12
Canonical SMILESOpenEye OEToolkits1.5.0 Cn1c[n+](c2c1NC(NC2O)N)C
InChIInChI1.03 InChI=1S/C7H14N5O/c1-11-3-12(2)5-4(11)6(13)10-7(8)9-5/h3,6-7,9-10,13H,8H2,1-2H3/q+1/t6-,7+/m0/s1
InChIKeyInChI1.03 UCYXILDOFXGENE-NKWVEPMBSA-N

Drug Info: DrugBank

DrugBank IDDB01978 
Name7,9-Dimethylguanine
Groups experimental
Synonyms7,9-Dimethylguanine
Categories
  • Heterocyclic Compounds, Fused-Ring
  • Purines
  • Purinones
  • Xanthine derivatives
CAS number55235-22-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Cap-specific mRNA (nucleoside-2'-O-)-methyltransferaseMDVVSLDKPFMYFEEIDNELDYEPESANEVAKKLPYQGQLKLLLGELFFL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 131704185