EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:105791 - 6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

ChEBI IDCHEBI:105791
ChEBI Name6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
Stars
DownloadsMolfile
FormulaC17H19N7OS
Net Charge0
Average Mass369.454
Monoisotopic Mass369.13718
SMILESCOc1ccc(Nc2nc(N)nc(CSc3nc(C)cc(C)n3)n2)cc1
InChIInChI=1S/C17H19N7OS/c1-10-8-11(2)20-17(19-10)26-9-14-22-15(18)24-16(23-14)21-12-4-6-13(25-3)7-5-12/h4-8H,9H2,1-3H3,(H3,18,21,22,23,24)
InChIKeyFAZQXFHJCJLUCY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CHEBI:105791) is a methoxybenzenes (CHEBI:51683)
6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CHEBI:105791) is a substituted aniline (CHEBI:48975)
Manual XrefsDatabases
LSM-17153LINCS