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CHEBI:91358 - 4-[[9-[(3R)-3-oxolanyl]-8-(2,4,6-trifluoroanilino)-2-purinyl]amino]-1-cyclohexanol

ChEBI IDCHEBI:91358
ChEBI Name4-[[9-[(3R)-3-oxolanyl]-8-(2,4,6-trifluoroanilino)-2-purinyl]amino]-1-cyclohexanol
Stars
DownloadsMolfile
FormulaC21H23F3N6O2
Net Charge0
Average Mass448.449
Monoisotopic Mass448.18346
SMILESOC1CCC(Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@@H]4CCOC4)c3n2)CC1
InChIInChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12?,13-,14?/m1/s1
InChIKeyIBGLGMOPHJQDJB-ROKHWSDSSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[9-[(3R)-3-oxolanyl]-8-(2,4,6-trifluoroanilino)-2-purinyl]amino]-1-cyclohexanol (CHEBI:91358) is a purines (CHEBI:26401)
Manual XrefsDatabases
LSM-1058LINCS