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CHEBI:40044 - (2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2H-1,4-benzoxazin-3(4H)-one

ChEBI IDCHEBI:40044
ChEBI Name(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2H-1,4-benzoxazin-3(4H)-one
Stars
ASCII Name(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2H-1,4-benzoxazin-3(4H)-one
Last Modified16 May 2008
DownloadsMolfile
FormulaC24H25F2N5O3
Net Charge0
Average Mass469.492
Monoisotopic Mass469.19255
SMILES[H]c1c(F)c([H])c([C@]2([H])Oc3c([H])c([H])c(-c4c(N([H])[H])nc(N([H])[H])nc4C([H])([H])C([H])([H])[H])c([H])c3N(C([H])([H])C([H])([H])C([H])([H])OC([H])([H])[H])C2=O)c([H])c1F
InChIInChI=1S/C24H25F2N5O3/c1-3-17-20(22(27)30-24(28)29-17)13-5-6-19-18(11-13)31(7-4-8-33-2)23(32)21(34-19)14-9-15(25)12-16(26)10-14/h5-6,9-12,21H,3-4,7-8H2,1-2H3,(H4,27,28,29,30)/t21-/m0/s1
InChIKeyKHZQOXQOUCGGGA-NRFANRHFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2H-1,4-benzoxazin-3(4H)-one (CHEBI:40044) is a aminopyrimidine (CHEBI:38338)
(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2H-1,4-benzoxazin-3(4H)-one (CHEBI:40044) is a benzoxazine (CHEBI:46969)
(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2H-1,4-benzoxazin-3(4H)-one (CHEBI:40044) is a organofluorine compound (CHEBI:37143)
Synonyms  Source
(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONEPDBeChem
(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2H-1,4-benzoxazin-3(4H)-onePDBeChem
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