EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:107290 - 3-[(2-methoxyphenyl)methyl]-5-[1-[(4-methylphenyl)-oxomethyl]-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one

ChEBI IDCHEBI:107290
ChEBI Name3-[(2-methoxyphenyl)methyl]-5-[1-[(4-methylphenyl)-oxomethyl]-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one
Stars
DownloadsMolfile
FormulaC25H26N6O3
Net Charge0
Average Mass458.522
Monoisotopic Mass458.20664
SMILESCOc1ccccc1Cn1nnc2c(=O)nc(C3CCN(C(=O)c4ccc(C)cc4)CC3)nc1-2
InChIInChI=1S/C25H26N6O3/c1-16-7-9-18(10-8-16)25(33)30-13-11-17(12-14-30)22-26-23-21(24(32)27-22)28-29-31(23)15-19-5-3-4-6-20(19)34-2/h3-10,17,29H,11-15H2,1-2H3
InChIKeyVUDQEIJLVGVDEK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(2-methoxyphenyl)methyl]-5-[1-[(4-methylphenyl)-oxomethyl]-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one (CHEBI:107290) is a N-acylpiperidine (CHEBI:48591)
3-[(2-methoxyphenyl)methyl]-5-[1-[(4-methylphenyl)-oxomethyl]-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one (CHEBI:107290) is a benzamides (CHEBI:22702)
Manual XrefsDatabases
LSM-18644LINCS