1-(3-methoxyphenyl)-5-[(5-nitro-2-thiophenyl)methylidene]-1,3-diazinane-2,4,6-trione (CHEBI:121933)

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ChEBI Name	1-(3-methoxyphenyl)-5-[(5-nitro-2-thiophenyl)methylidene]-1,3-diazinane-2,4,6-trione

ChEBI ID	CHEBI:121933

Stars	This entity has been manually annotated by a third party.

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Formula

C16H11N3O6S

Net Charge

Average Mass

373.342

Monoisotopic Mass

373.03686

InChI

InChI=1S/C16H11N3O6S/c1-25-10-4-2-3-9(7-10)18-15(21)12(14(20)17-16(18)22)8-11-5-6-13(26-11)19(23)24/h2-8H,1H3,(H,17,20,22)

InChIKey

UMWKECNWLQGLGP-UHFFFAOYSA-N

SMILES

COC1=CC=CC(=C1)N2C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])C(=O)NC2=O

Roles Classification
Biological Role(s):	GABA modulator A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. (via barbiturates )

Application(s):	GABA modulator A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. (via barbiturates )

ChEBI Ontology
Outgoing	1-(3-methoxyphenyl)-5-[(5-nitro-2-thiophenyl)methylidene]-1,3-diazinane-2,4,6-trione (CHEBI:121933) is a barbiturates (CHEBI:22693)