CHEBI:103950 - N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine

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ChEBI Name N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine
ChEBI ID CHEBI:103950
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C12H16BrN5OS
Net Charge 0
Average Mass 358.258
Monoisotopic Mass 357.02589
InChI InChI=1S/C12H16BrN5OS/c1-18-12(15-16-17-18)20-6-5-14-8-9-7-10(13)3-4-11(9)19-2/h3-4,7,14H,5-6,8H2,1-2H3
InChIKey MWVFSBOSJAKLQG-UHFFFAOYSA-N
SMILES CN1C(=NN=N1)SCCNCC2=C(C=CC(=C2)Br)OC
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 N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine (CHEBI:103950) is a aromatic amine (CHEBI:33860)
Manual Xref Database
LSM-15303 LINCS
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