EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:47212 - (2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL

Default Structure
ChEBI IDCHEBI:47212
ChEBI Name(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL
Stars
DownloadsMolfile
FormulaC19H26ClN7O
Net Charge0
Average Mass403.918
Monoisotopic Mass403.18874
SMILES[H]OC([H])([H])[C@@]([H])(N([H])c1nc(N([H])c2c([H])c(Cl)c([H])c(N([H])[H])c2[H])c2nc([H])n(C([H])(C([H])([H])[H])C([H])([H])[H])c2n1)C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C19H26ClN7O/c1-10(2)15(8-28)24-19-25-17(23-14-6-12(20)5-13(21)7-14)16-18(26-19)27(9-22-16)11(3)4/h5-7,9-11,15,28H,8,21H2,1-4H3,(H2,23,24,25,26)/t15-/m1/s1
InChIKeyRAMROQQYRRQPDL-OAHLLOKOSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL (CHEBI:47212) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl}amino)-3-methylbutan-1-olPDBeChem
(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OLPDBeChem
Manual XrefsDatabases
AP9PDBeChem