EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:112318 - 6-amino-5-[2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1,3-dimethylpyrimidine-2,4-dione

ChEBI IDCHEBI:112318
ChEBI Name6-amino-5-[2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1,3-dimethylpyrimidine-2,4-dione
Stars
DownloadsMolfile
FormulaC20H24ClN7O3S
Net Charge0
Average Mass477.978
Monoisotopic Mass477.13499
SMILESCC(c1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1-c1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C20H24ClN7O3S/c1-11(25(2)3)17-23-24-19(28(17)13-8-6-12(21)7-9-13)32-10-14(29)15-16(22)26(4)20(31)27(5)18(15)30/h6-9,11H,10,22H2,1-5H3
InChIKeyBFRZYEZJNARVEP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-amino-5-[2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1,3-dimethylpyrimidine-2,4-dione (CHEBI:112318) is a triazoles (CHEBI:35727)
Manual XrefsDatabases
LSM-23730LINCS