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CHEBI:45082 - 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-

Default Structure
ChEBI IDCHEBI:45082
ChEBI Name8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC17H19N5O2
Net Charge0
Average Mass325.372
Monoisotopic Mass325.15387
SMILES[H]c1nc(N([H])[H])c2nc(C([H])([H])c3c([H])c([H])c4c(c3[H])OC([H])([H])O4)n(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c2n1
InChIInChI=1S/C17H19N5O2/c1-2-3-6-22-14(21-15-16(18)19-9-20-17(15)22)8-11-4-5-12-13(7-11)24-10-23-12/h4-5,7,9H,2-3,6,8,10H2,1H3,(H2,18,19,20)
InChIKeyJCDXXNIRWRRGBX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H- (CHEBI:45082) is a unclassifieds (CHEBI:27189)
Synonyms  Source
8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-9H-purin-6-aminePDBeChem
8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-PDBeChem
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