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CHEBI:116872 - 2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-3-methyl-5H-pyrimido[5,4-b]indol-4-one

ChEBI IDCHEBI:116872
ChEBI Name2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-3-methyl-5H-pyrimido[5,4-b]indol-4-one
Stars
Last Modified6 March 2020
DownloadsMolfile
FormulaC20H24N4O2S
Net Charge0
Average Mass384.505
Monoisotopic Mass384.16200
SMILESCCC1CCCCN1C(=O)CSc1nc2c(nc3ccccc32)c(=O)n1C
InChIInChI=1S/C20H24N4O2S/c1-3-13-8-6-7-11-24(13)16(25)12-27-20-22-17-14-9-4-5-10-15(14)21-18(17)19(26)23(20)2/h4-5,9-10,13,21H,3,6-8,11-12H2,1-2H3
InChIKeyOYRRJMUFLQVYOB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-3-methyl-5H-pyrimido[5,4-b]indol-4-one (CHEBI:116872) is a pyrimido-indole (CHEBI:146266)
2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-3-methyl-5H-pyrimido[5,4-b]indol-4-one (CHEBI:116872) is a pyrrolopyrimidine (CHEBI:38670)
Manual XrefsDatabases
LSM-28323LINCS