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CHEBI:47457 - 8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE

Default Structure
ChEBI IDCHEBI:47457
ChEBI Name8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC18H21BrN6O2S
Net Charge0
Average Mass465.377
Monoisotopic Mass464.06301
SMILES[H]c1nc(N([H])[H])c2nc(Sc3c([H])c4c(c([H])c3Br)OC([H])([H])O4)n(C([H])([H])C([H])([H])C([H])([H])N([H])C([H])(C([H])([H])[H])C([H])([H])[H])c2n1
InChIInChI=1S/C18H21BrN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)
InChIKeyMWGWLDJLENCVRQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE (CHEBI:47457) is a unclassifieds (CHEBI:27189)
Synonyms  Source
8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-9-{3-[(1-methylethyl)amino]propyl}-9H-purin-6-aminePDBeChem
8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINEPDBeChem
Manual XrefsDatabases
H64PDBeChem