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CHEBI:93944 - N-(2,5-dimethoxyphenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide

Default Structure
ChEBI IDCHEBI:93944
ChEBI NameN-(2,5-dimethoxyphenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide
Stars
DownloadsMolfile
FormulaC21H19N5O3S
Net Charge0
Average Mass421.482
Monoisotopic Mass421.12086
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(CSc3ncnc4ncnc34)cc2)c1
InChIInChI=1S/C21H19N5O3S/c1-28-15-7-8-17(29-2)16(9-15)26-20(27)14-5-3-13(4-6-14)10-30-21-18-19(23-11-22-18)24-12-25-21/h3-9,11-12H,10H2,1-2H3,(H,26,27)(H,22,23,24,25)
InChIKeySJFGHDAXEHNGOQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2,5-dimethoxyphenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide (CHEBI:93944) is a benzamides (CHEBI:22702)
Manual XrefsDatabases
LSM-4524LINCS