EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:120856 - 4-amino-2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester

ChEBI IDCHEBI:120856
ChEBI Name4-amino-2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC18H20N8O2S
Net Charge0
Average Mass412.479
Monoisotopic Mass412.14299
SMILESCCOC(=O)c1cnc(SCc2nc(N)nc(Nc3ccc(C)cc3)n2)nc1N
InChIInChI=1S/C18H20N8O2S/c1-3-28-15(27)12-8-21-18(25-14(12)19)29-9-13-23-16(20)26-17(24-13)22-11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3,(H2,19,21,25)(H3,20,22,23,24,26)
InChIKeyCESOFQSQWIOBJN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-amino-2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester (CHEBI:120856) is a pyrimidinecarboxylic acid (CHEBI:78574)
Manual XrefsDatabases
LSM-32299LINCS