CHEBI:103891 - 6-(2-methoxyphenyl)-3-(2-methylphenyl)-2,5-bis(sulfanylidene)-4H-thiazolo[4,5-d]pyrimidin-7-one

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ChEBI Name 6-(2-methoxyphenyl)-3-(2-methylphenyl)-2,5-bis(sulfanylidene)-4H-thiazolo[4,5-d]pyrimidin-7-one
ChEBI ID CHEBI:103891
Stars This entity has been manually annotated by a third party.
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Formula C19H15N3O2S3
Net Charge 0
Average Mass 413.540
Monoisotopic Mass 413.03264
InChI InChI=1S/C19H15N3O2S3/c1-11-7-3-4-8-12(11)21-16-15(27-19(21)26)17(23)22(18(25)20-16)13-9-5-6-10-14(13)24-2/h3-10H,1-2H3,(H,20,25)
InChIKey MJVUHJPNTJMSAN-UHFFFAOYSA-N
SMILES CC1=CC=CC=C1N2C3=C(C(=O)N(C(=S)N3)C4=CC=CC=C4OC)SC2=S
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 6-(2-methoxyphenyl)-3-(2-methylphenyl)-2,5-bis(sulfanylidene)-4H-thiazolo[4,5-d]pyrimidin-7-one (CHEBI:103891) is a methoxybenzenes (CHEBI:51683)
6-(2-methoxyphenyl)-3-(2-methylphenyl)-2,5-bis(sulfanylidene)-4H-thiazolo[4,5-d]pyrimidin-7-one (CHEBI:103891) is a substituted aniline (CHEBI:48975)
Manual Xref Database
LSM-15244 LINCS
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