EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:114900 - N2-[[4-(dimethylamino)phenyl]methylideneamino]-N4-(4-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine

ChEBI IDCHEBI:114900
ChEBI NameN2-[[4-(dimethylamino)phenyl]methylideneamino]-N4-(4-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine
Stars
DownloadsMolfile
FormulaC21H23N7O3
Net Charge0
Average Mass421.461
Monoisotopic Mass421.18624
SMILESCOc1ccc(Nc2nc(NN=Cc3ccc(N(C)C)cc3)nc(C)c2[N+](=O)[O-])cc1
InChIInChI=1S/C21H23N7O3/c1-14-19(28(29)30)20(24-16-7-11-18(31-4)12-8-16)25-21(23-14)26-22-13-15-5-9-17(10-6-15)27(2)3/h5-13H,1-4H3,(H2,23,24,25,26)
InChIKeyMQAYHVCYUJWVEG-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)
N2-[[4-(dimethylamino)phenyl]methylideneamino]-N4-(4-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine (CHEBI:114900) is a methoxybenzenes (CHEBI:51683)
N2-[[4-(dimethylamino)phenyl]methylideneamino]-N4-(4-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine (CHEBI:114900) is a substituted aniline (CHEBI:48975)
Manual XrefsDatabases
LSM-26363LINCS