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CHEBI:47540 - 3-(2-chlorobenzyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea

ChEBI IDCHEBI:47540
ChEBI Name3-(2-chlorobenzyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea
Stars
ASCII Name3-(2-chlorobenzyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea
Last Modified24 October 2014
DownloadsMolfile
FormulaC24H28ClN5O3
Net Charge0
Average Mass469.973
Monoisotopic Mass469.18807
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])C([H])([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/C24H28ClN5O3/c1-16(24(2,3)32)28-22-26-14-13-21(29-22)30(18-9-11-19(33-4)12-10-18)23(31)27-15-17-7-5-6-8-20(17)25/h5-14,16,32H,15H2,1-4H3,(H,27,31)(H,26,28,29)/t16-/m0/s1
InChIKeyZHBOBAJCKHPQBT-INIZCTEOSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(2-chlorobenzyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea (CHEBI:47540) is a aminopyrimidine (CHEBI:38338)
3-(2-chlorobenzyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea (CHEBI:47540) is a ethanolamines (CHEBI:23981)
3-(2-chlorobenzyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea (CHEBI:47540) is a monochlorobenzenes (CHEBI:83403)
3-(2-chlorobenzyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea (CHEBI:47540) is a ureas (CHEBI:47857)
Synonyms  Source
3-(2-chlorobenzyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)ureaPDBeChem
3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREAPDBeChem
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