EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:125035 - cyclopropyl-[(1S,5R)-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone

ChEBI IDCHEBI:125035
ChEBI Namecyclopropyl-[(1S,5R)-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
Stars
DownloadsMolfile
FormulaC19H20N4O
Net Charge0
Average Mass320.396
Monoisotopic Mass320.16371
SMILESO=C(C1CC1)N1C[C@@H]2N[C@H](C1)C2c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C19H20N4O/c24-19(14-5-6-14)23-9-16-18(17(10-23)22-16)13-3-1-12(2-4-13)15-7-20-11-21-8-15/h1-4,7-8,11,14,16-18,22H,5-6,9-10H2/t16-,17+,18?
InChIKeySURRSBGQMWTHJI-JWTNVVGKSA-N
ChEBI Ontology
Outgoing Relation(s)
cyclopropyl-[(1S,5R)-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone (CHEBI:125035) is a pyrimidines (CHEBI:39447)
Manual XrefsDatabases
LSM-36497LINCS