CHEBI:109318 - 2-furanyl-[4-[3-(4-methoxyphenyl)-7-isothiazolo[4,5-d]pyrimidinyl]-1-piperazinyl]methanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-furanyl-[4-[3-(4-methoxyphenyl)-7-isothiazolo[4,5-d]pyrimidinyl]-1-piperazinyl]methanone
ChEBI ID CHEBI:109318
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H19N5O3S
Net Charge 0
Average Mass 421.474
Monoisotopic Mass 421.12086
InChI InChI=1S/C21H19N5O3S/c1-28-15-6-4-14(5-7-15)17-18-19(30-24-17)20(23-13-22-18)25-8-10-26(11-9-25)21(27)16-3-2-12-29-16/h2-7,12-13H,8-11H2,1H3
InChIKey AGQAENFTCGWHKW-UHFFFAOYSA-N
SMILES COC1=CC=C(C=C1)C2=NSC3=C2N=CN=C3N4CCN(CC4)C(=O)C5=CC=CO5
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 2-furanyl-[4-[3-(4-methoxyphenyl)-7-isothiazolo[4,5-d]pyrimidinyl]-1-piperazinyl]methanone (CHEBI:109318) is a N-arylpiperazine (CHEBI:46848)
Manual Xref Database
LSM-20716 LINCS
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