8QT

(2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol


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Chemical Component Summary

Name(2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
SynonymsCCT068127
Identifiers(2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
FormulaC19 H27 N7 O
Molecular Weight369.464
TypeNON-POLYMER
Isomeric SMILESCC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3
InChIInChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1
InChIKeySCACHXWSWJBIHG-HIFRSBDPSA-N

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count2
Bond Count56
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 9842276
ChEMBL CHEMBL1922219