Chemical Entities of Biological Interest Ontology

Last uploaded: November 5, 2024
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Preferred Name

5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole
Synonyms

5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole
Definitions

A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a [4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl group at position 2 and a methoxy group at position 5.
ID

http://purl.obolibrary.org/obo/CHEBI_77260
charge

0
database_cross_reference

KEGG:D00455

CAS:73590-58-6

KEGG:C07324
definition

A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a [4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl group at position 2 and a methoxy group at position 5.
formula

C17H19N3O3S
has_exact_synonym

5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole
has_obo_namespace

chebi_ontology
id

CHEBI:77260
in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR
inchi

InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
inchikey

SUBDBMMJDZJVOS-UHFFFAOYSA-N
label

5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole
mass

345.41600
monoisotopicmass

345.11471
notation

CHEBI:77260
prefLabel

5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole
smiles

COc1ccc2[nH]c(nc2c1)S(=O)Cc1ncc(C)c(OC)c1C
treeView

http://purl.obolibrary.org/obo/CHEBI_35618

http://purl.obolibrary.org/obo/CHEBI_22063

http://purl.obolibrary.org/obo/CHEBI_26421

http://purl.obolibrary.org/obo/CHEBI_22715
subClassOf

http://purl.obolibrary.org/obo/CHEBI_35618

http://purl.obolibrary.org/obo/CHEBI_22063

http://purl.obolibrary.org/obo/CHEBI_26421

http://purl.obolibrary.org/obo/CHEBI_22715
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