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CHEBI:47630 - 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE

Default Structure
ChEBI IDCHEBI:47630
ChEBI Name8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC20H22ClN5O3
Net Charge0
Average Mass415.881
Monoisotopic Mass415.14112
SMILES[H]C#CC([H])([H])C([H])([H])C([H])([H])n1c(C([H])([H])c2c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c(OC([H])([H])[H])c2Cl)nc2c(N([H])[H])nc([H])nc21
InChIInChI=1S/C20H22ClN5O3/c1-5-6-7-8-26-14(25-16-19(22)23-11-24-20(16)26)10-12-9-13(27-2)17(28-3)18(29-4)15(12)21/h1,9,11H,6-8,10H2,2-4H3,(H2,22,23,24)
InChIKeyWUJFGZAAFADPSF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE (CHEBI:47630) is a unclassifieds (CHEBI:27189)
Synonyms  Source
8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINEPDBeChem
8-(2-chloro-3,4,5-trimethoxybenzyl)-9-pent-4-yn-1-yl-9H-purin-6-aminePDBeChem
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