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CHEBI:114303 - 2-[[6-amino-2-(4-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]ethanol

ChEBI IDCHEBI:114303
ChEBI Name2-[[6-amino-2-(4-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]ethanol
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FormulaC13H16N6O4
Net Charge0
Average Mass320.309
Monoisotopic Mass320.12330
SMILESCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NCCO)n2)cc1
InChIInChI=1S/C13H16N6O4/c1-23-9-4-2-8(3-5-9)16-13-17-11(14)10(19(21)22)12(18-13)15-6-7-20/h2-5,20H,6-7H2,1H3,(H4,14,15,16,17,18)
InChIKeyMIQPRJLDVRECPY-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)
2-[[6-amino-2-(4-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]ethanol (CHEBI:114303) is a methoxybenzenes (CHEBI:51683)
2-[[6-amino-2-(4-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]ethanol (CHEBI:114303) is a substituted aniline (CHEBI:48975)
Manual XrefsDatabases
LSM-25763LINCS