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CHEBI:93323 - [4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanone

ChEBI IDCHEBI:93323
ChEBI Name[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanone
Stars
DownloadsMolfile
FormulaC20H22N4OS2
Net Charge0
Average Mass398.557
Monoisotopic Mass398.12350
SMILESCc1nc(N2CCN(C(=O)c3cccs3)CC2)c2c3c(sc2n1)CCCC3
InChIInChI=1S/C20H22N4OS2/c1-13-21-18(17-14-5-2-3-6-15(14)27-19(17)22-13)23-8-10-24(11-9-23)20(25)16-7-4-12-26-16/h4,7,12H,2-3,5-6,8-11H2,1H3
InChIKeyVPFJJEBHYFVAOH-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)
[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanone (CHEBI:93323) is a N-arylpiperazine (CHEBI:46848)
Manual XrefsDatabases
LSM-3683LINCS