EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:93258 - 1-(3-aminopropyl)-3-[3-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]propyl]thiourea

ChEBI IDCHEBI:93258
ChEBI Name1-(3-aminopropyl)-3-[3-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]propyl]thiourea
Stars
DownloadsMolfile
FormulaC19H25BrClN5S
Net Charge0
Average Mass470.868
Monoisotopic Mass469.07026
SMILESNCCCNC(=S)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1
InChIInChI=1S/C19H25BrClN5S/c20-16-5-8-18(25-13-16)26(14-15-3-6-17(21)7-4-15)12-2-11-24-19(27)23-10-1-9-22/h3-8,13H,1-2,9-12,14,22H2,(H2,23,24,27)
InChIKeyAFYANHAOQVXINA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-(3-aminopropyl)-3-[3-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]propyl]thiourea (CHEBI:93258) is a aminopyridine (CHEBI:38207)
Manual XrefsDatabases
LSM-3603LINCS