EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:115586 - 2-[[4-amino-5-(3-chlorophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-methoxyethyl)butanamide

ChEBI IDCHEBI:115586
ChEBI Name2-[[4-amino-5-(3-chlorophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-methoxyethyl)butanamide
Stars
DownloadsMolfile
FormulaC19H23ClN6O2S
Net Charge0
Average Mass434.953
Monoisotopic Mass434.12917
SMILESCCC(Sc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1)C(=O)NCCOC
InChIInChI=1S/C19H23ClN6O2S/c1-4-14(18(27)22-8-9-28-3)29-19-23-17-15(11(2)24-25-17)16(21)26(19)13-7-5-6-12(20)10-13/h5-7,10,14H,4,8-9,21H2,1-3H3,(H,22,27)
InChIKeyLXNUZWHEMOKYNJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[4-amino-5-(3-chlorophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-methoxyethyl)butanamide (CHEBI:115586) is a pyrazolopyrimidine (CHEBI:38669)
Manual XrefsDatabases
LSM-27043LINCS