EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:93275 - 5-[(2-methyl-5-nitroanilino)methyl]-2-(methylthio)-4-pyrimidinamine

ChEBI IDCHEBI:93275
ChEBI Name5-[(2-methyl-5-nitroanilino)methyl]-2-(methylthio)-4-pyrimidinamine
Stars
DownloadsMolfile
FormulaC13H15N5O2S
Net Charge0
Average Mass305.363
Monoisotopic Mass305.09465
SMILESCSc1ncc(CNc2cc([N+](=O)[O-])ccc2C)c(N)n1
InChIInChI=1S/C13H15N5O2S/c1-8-3-4-10(18(19)20)5-11(8)15-6-9-7-16-13(21-2)17-12(9)14/h3-5,7,15H,6H2,1-2H3,(H2,14,16,17)
InChIKeyLMHBXUYUYMUSTH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-[(2-methyl-5-nitroanilino)methyl]-2-(methylthio)-4-pyrimidinamine (CHEBI:93275) is a C-nitro compound (CHEBI:35716)
Manual XrefsDatabases
LSM-3626LINCS