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CHEBI:116416 - 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester

ChEBI IDCHEBI:116416
ChEBI Name4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester
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DownloadsMolfile
FormulaC17H18N8O2S
Net Charge0
Average Mass398.452
Monoisotopic Mass398.12734
SMILESCCOC(=O)c1cnc(SCc2nc(N)nc(Nc3ccccc3)n2)nc1N
InChIInChI=1S/C17H18N8O2S/c1-2-27-14(26)11-8-20-17(24-13(11)18)28-9-12-22-15(19)25-16(23-12)21-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H2,18,20,24)(H3,19,21,22,23,25)
InChIKeyRRXYXSMOOQIPTM-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-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester (CHEBI:116416) is a pyrimidinecarboxylic acid (CHEBI:78574)
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LSM-27870LINCS