EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:228264 - Compound D

Default Structure
ChEBI IDCHEBI:228264
ChEBI NameCompound D
Stars
DefinitionCompound D
SubmitterKalpana P
DownloadsMolfile
FormulaC18H13N7O3S
Net Charge0
Average Mass407.415
Monoisotopic Mass407.08006
SMILESO=C(Nc1ccn(-c2ccccc2)n1)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12
InChIInChI=1S/C18H13N7O3S/c26-17(21-16-8-9-24(22-16)13-4-2-1-3-5-13)12-6-7-14-15(10-12)29(27,28)23-18-19-11-20-25(14)18/h1-11H,(H,19,20,23)(H,21,22,26)
InChIKeyFBZIIPVIWFOZJI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Compound D (CHEBI:228264) is a organic molecular entity (CHEBI:50860)