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CHEBI:42581 - N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE

Default Structure
ChEBI IDCHEBI:42581
ChEBI NameN-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC25H26FN5O3
Net Charge0
Average Mass463.513
Monoisotopic Mass463.20197
SMILES[H]c1c([H])c([H])c(C([H])([H])n2c(=O)c3c(nc(C([H])([H])c4c([H])c([H])c(N([H])C(=O)C([H])([H])[H])c([H])c4[H])n3[H])n(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c2=O)c(F)c1[H]
InChIInChI=1S/C25H26FN5O3/c1-3-4-13-30-23-22(24(33)31(25(30)34)15-18-7-5-6-8-20(18)26)28-21(29-23)14-17-9-11-19(12-10-17)27-16(2)32/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyJHSHXKJSPVHPCJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE (CHEBI:42581) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDEPDBeChem
N-(4-{[3-butyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}phenyl)acetamidePDBeChem
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