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CHEBI:122162 - 4-amino-2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester

ChEBI IDCHEBI:122162
ChEBI Name4-amino-2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC17H17FN8O2S
Net Charge0
Average Mass416.442
Monoisotopic Mass416.11792
SMILESCCOC(=O)c1cnc(SCc2nc(N)nc(Nc3ccc(F)cc3)n2)nc1N
InChIInChI=1S/C17H17FN8O2S/c1-2-28-14(27)11-7-21-17(25-13(11)19)29-8-12-23-15(20)26-16(24-12)22-10-5-3-9(18)4-6-10/h3-7H,2,8H2,1H3,(H2,19,21,25)(H3,20,22,23,24,26)
InChIKeyVLJAIEKCUCADNF-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-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester (CHEBI:122162) is a pyrimidinecarboxylic acid (CHEBI:78574)
Manual XrefsDatabases
LSM-33605LINCS