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CHEBI:46232 - (2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one

Default Structure
ChEBI IDCHEBI:46232
ChEBI Name(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-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)-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Last Modified16 May 2008
DownloadsMolfile
FormulaC25H27F2N5O3
Net Charge0
Average Mass483.519
Monoisotopic Mass483.20820
SMILES[H]c1c(F)c([H])c([C@]2(C([H])([H])[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/C25H27F2N5O3/c1-4-18-21(22(28)31-24(29)30-18)14-6-7-20-19(10-14)32(8-5-9-34-3)23(33)25(2,35-20)15-11-16(26)13-17(27)12-15/h6-7,10-13H,4-5,8-9H2,1-3H3,(H4,28,29,30,31)/t25-/m0/s1
InChIKeyUAXNNGUDPWZOKX-VWLOTQADSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one (CHEBI:46232) is a aminopyrimidine (CHEBI:38338)
(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one (CHEBI:46232) is a benzoxazine (CHEBI:46969)
(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one (CHEBI:46232) is a organofluorine compound (CHEBI:37143)
Synonyms  Source
(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-onePDBeChem
(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONEPDBeChem
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