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CHEBI:114806 - N4-(3,4-dimethylphenyl)-2-(4-ethyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine

ChEBI IDCHEBI:114806
ChEBI NameN4-(3,4-dimethylphenyl)-2-(4-ethyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine
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DownloadsMolfile
FormulaC18H25N7O2
Net Charge0
Average Mass371.445
Monoisotopic Mass371.20697
SMILESCCN1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(C)c(C)c3)n2)CC1
InChIInChI=1S/C18H25N7O2/c1-4-23-7-9-24(10-8-23)18-21-16(19)15(25(26)27)17(22-18)20-14-6-5-12(2)13(3)11-14/h5-6,11H,4,7-10H2,1-3H3,(H3,19,20,21,22)
InChIKeyAWMZXKYPBZZDKM-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-(3,4-dimethylphenyl)-2-(4-ethyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine (CHEBI:114806) is a N-arylpiperazine (CHEBI:46848)
Manual XrefsDatabases
LSM-26268LINCS