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CHEBI:228450 - 4-(5H-thieno[3',2':5,6]thiino[4,3-d]pyrimidin-2-yl)benzamide

Default Structure
ChEBI IDCHEBI:228450
ChEBI Name4-(5H-thieno[3',2':5,6]thiino[4,3-d]pyrimidin-2-yl)benzamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H11N3OS2
Net Charge0
Average Mass325.418
Monoisotopic Mass325.03435
SMILESNC(=O)c1ccc(-c2ncc3c(n2)-c2ccsc2SC3)cc1
InChIInChI=1S/C16H11N3OS2/c17-14(20)9-1-3-10(4-2-9)15-18-7-11-8-22-16-12(5-6-21-16)13(11)19-15/h1-7H,8H2,(H2,17,20)
InChIKeyUFOIOFHCQRZNAN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
4-(5H-thieno[3',2':5,6]thiino[4,3-d]pyrimidin-2-yl)benzamide (CHEBI:228450) is a benzamides (CHEBI:22702)
IUPAC Name 
4-(5,7-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-yl)benzamide
Manual XrefsDatabases
2021334ChemSpider