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CHEBI:39506 - 7-isobutyl-5-methyl-2-(1-naphthylmethyl)-3-(4-pyridyl)alloxanthine

ChEBI IDCHEBI:39506
ChEBI Name7-isobutyl-5-methyl-2-(1-naphthylmethyl)-3-(4-pyridyl)alloxanthine
Stars
DefinitionA pyrazolopyrimidine that is alloxanthine which is substituted at positions 2, 3, 5, and 7 by 1-naphthylmethyl, 4-pyridyl, methyl, and isobutyl groups, respectively.
Last Modified12 August 2011
DownloadsMolfile
FormulaC26H25N5O2
Net Charge0
Average Mass439.519
Monoisotopic Mass439.20083
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccncc3)n(Cc3cccc4ccccc34)nc21
InChIInChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3
InChIKeyNNZDBCPMOOEFTE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
7-isobutyl-5-methyl-2-(1-naphthylmethyl)-3-(4-pyridyl)alloxanthine (CHEBI:39506) has functional parent alloxanthine (CHEBI:28315)
7-isobutyl-5-methyl-2-(1-naphthylmethyl)-3-(4-pyridyl)alloxanthine (CHEBI:39506) is a pyrazolopyrimidine (CHEBI:38669)
IUPAC Name 
5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
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