8M9

4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine

Created:2017-08-04
Last modified:  2017-08-30

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count39
Aromatic Bond Count16
2D diagram of 8M9

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Chemical Component Summary

Name4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
Systematic Name (OpenEye OEToolkits)4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
FormulaC14 H15 Cl N6 O
Molecular Weight318.762
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COc1c(C)cnc(Cn2ncc3c(Cl)nc(N)nc23)c1C
SMILESOpenEye OEToolkits2.0.6Cc1cnc(c(c1OC)C)Cn2c3c(cn2)c(nc(n3)N)Cl
Canonical SMILESCACTVS3.385 COc1c(C)cnc(Cn2ncc3c(Cl)nc(N)nc23)c1C
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1cnc(c(c1OC)C)Cn2c3c(cn2)c(nc(n3)N)Cl
InChIInChI1.03 InChI=1S/C14H15ClN6O/c1-7-4-17-10(8(2)11(7)22-3)6-21-13-9(5-18-21)12(15)19-14(16)20-13/h4-5H,6H2,1-3H3,(H2,16,19,20)
InChIKeyInChI1.03 IKGRZHVFOMUXCQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4080323
PubChem 58762794
ChEMBL CHEMBL4080323