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

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ChEBI Name [4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanone
ChEBI ID CHEBI:93323
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H22N4OS2
Net Charge 0
Average Mass 398.548
Monoisotopic Mass 398.12350
InChI InChI=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
InChIKey VPFJJEBHYFVAOH-UHFFFAOYSA-N
SMILES CC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CCN(CC4)C(=O)C5=CC=CS5
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing [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 Xref Database
LSM-3683 LINCS
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