EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:120637 - 7-[4-[4-(2-fluorophenyl)-1-piperazinyl]-4-oxobutyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one

ChEBI IDCHEBI:120637
ChEBI Name7-[4-[4-(2-fluorophenyl)-1-piperazinyl]-4-oxobutyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
Stars
DownloadsMolfile
FormulaC23H23FN4O4S
Net Charge0
Average Mass470.526
Monoisotopic Mass470.14240
SMILESO=C(CCCn1c(=S)nc2cc3c(cc2c1=O)OCO3)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H23FN4O4S/c24-16-4-1-2-5-18(16)26-8-10-27(11-9-26)21(29)6-3-7-28-22(30)15-12-19-20(32-14-31-19)13-17(15)25-23(28)33/h1-2,4-5,12-13H,3,6-11,14H2,(H,25,33)
InChIKeyNNKLCXSVJNSYGL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
7-[4-[4-(2-fluorophenyl)-1-piperazinyl]-4-oxobutyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one (CHEBI:120637) is a piperazines (CHEBI:26144)
Manual XrefsDatabases
LSM-32079LINCS