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CHEBI:91339 - 3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]amino]-1-propanol

Default Structure
ChEBI IDCHEBI:91339
ChEBI Name3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]amino]-1-propanol
Stars
DownloadsMolfile
FormulaC18H18ClN5O
Net Charge0
Average Mass355.829
Monoisotopic Mass355.11999
SMILESOCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1
InChIInChI=1S/C18H18ClN5O/c19-14-3-1-4-15(12-14)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H,22,23,24)
InChIKeyIYNDTACKOAXKBJ-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)
3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]amino]-1-propanol (CHEBI:91339) is a substituted aniline (CHEBI:48975)
Manual XrefsDatabases
LSM-1025LINCS