WMR

5-butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine

Created:2015-03-08
Last modified:  2015-05-13

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count44
Aromatic Bond Count10
2D diagram of WMR

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Chemical Component Summary

Name5-butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine
FormulaC15 H22 N4 S
Molecular Weight290.427
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCCCc1nc2[nH]nc(N)c2c3CC(C)(C)SCc13
SMILESOpenEye OEToolkits1.7.6CCCCc1c2c(c3c(n[nH]c3n1)N)CC(SC2)(C)C
Canonical SMILESCACTVS3.385 CCCCc1nc2[nH]nc(N)c2c3CC(C)(C)SCc13
Canonical SMILESOpenEye OEToolkits1.7.6 CCCCc1c2c(c3c(n[nH]c3n1)N)CC(SC2)(C)C
InChIInChI1.03 InChI=1S/C15H22N4S/c1-4-5-6-11-10-8-20-15(2,3)7-9(10)12-13(16)18-19-14(12)17-11/h4-8H2,1-3H3,(H3,16,17,18,19)
InChIKeyInChI1.03 MPWCUTPIYOWTII-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1502265
PubChem 4519806
ChEMBL CHEMBL1502265