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CHEBI:113095 - N4-(2-furanylmethyl)-N2-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine

ChEBI IDCHEBI:113095
ChEBI NameN4-(2-furanylmethyl)-N2-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
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FormulaC16H16N6O4
Net Charge0
Average Mass356.342
Monoisotopic Mass356.12330
SMILESCOc1cccc(Nc2nc(N)c([N+](=O)[O-])c(NCc3ccco3)n2)c1
InChIInChI=1S/C16H16N6O4/c1-25-11-5-2-4-10(8-11)19-16-20-14(17)13(22(23)24)15(21-16)18-9-12-6-3-7-26-12/h2-8H,9H2,1H3,(H4,17,18,19,20,21)
InChIKeyUHBLKYYIRALZHO-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)
N4-(2-furanylmethyl)-N2-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine (CHEBI:113095) is a methoxybenzenes (CHEBI:51683)
N4-(2-furanylmethyl)-N2-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine (CHEBI:113095) is a substituted aniline (CHEBI:48975)
Manual XrefsDatabases
LSM-24505LINCS