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CHEBI:47539 - 3-(2-chlorophenyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea

ChEBI IDCHEBI:47539
ChEBI Name3-(2-chlorophenyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea
Stars
ASCII Name3-(2-chlorophenyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea
Last Modified24 October 2014
DownloadsMolfile
FormulaC23H26ClN5O3
Net Charge0
Average Mass455.946
Monoisotopic Mass455.17242
SMILES[H]OC(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(N([H])c1nc([H])c([H])c(N(C(=O)N([H])c2c([H])c([H])c([H])c([H])c2Cl)c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])n1)C([H])([H])[H]
InChIInChI=1S/C23H26ClN5O3/c1-15(23(2,3)31)26-21-25-14-13-20(28-21)29(16-9-11-17(32-4)12-10-16)22(30)27-19-8-6-5-7-18(19)24/h5-15,31H,1-4H3,(H,27,30)(H,25,26,28)/t15-/m0/s1
InChIKeyZWYFTKPEHRQCCW-HNNXBMFYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(2-chlorophenyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea (CHEBI:47539) is a aminopyrimidine (CHEBI:38338)
3-(2-chlorophenyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea (CHEBI:47539) is a ethanolamines (CHEBI:23981)
3-(2-chlorophenyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea (CHEBI:47539) is a monochlorobenzenes (CHEBI:83403)
3-(2-chlorophenyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea (CHEBI:47539) is a ureas (CHEBI:47857)
Synonyms  Source
3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREAPDBeChem
3-(2-chlorophenyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)ureaPDBeChem
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