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Chemistry, part 2

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Concept information

organooxygen compound > ether > aromatic ether > (2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-2-[[methyl(5-pyrimidinylmethyl)amino]methyl]-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > (2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-2-[[methyl(5-pyrimidinylmethyl)amino]methyl]-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-6-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > (2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-2-[[methyl(5-pyrimidinylmethyl)amino]methyl]-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > (2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-2-[[methyl(5-pyrimidinylmethyl)amino]methyl]-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-6-one

Preferred term

(2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-2-[[methyl(5-pyrimidinylmethyl)amino]methyl]-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-6-one  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C25H33N5O3

inchi

  • InChI=1S/C25H33N5O3/c1-17(2)6-7-20-8-22-24(28-11-20)33-23(14-29(5)13-21-9-26-16-27-10-21)18(3)12-30(25(22)32)19(4)15-31/h8-11,16-19,23,31H,12-15H2,1-5H3/t18-,19+,23-/m0/s1

inchikey

  • KVTAKNNJYPDOHV-YYDVJCTNSA-N

mass

  • 451.562

monoisotopicmass

  • 451.25834

smiles

  • C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC(C)C)O[C@H]1CN(C)CC3=CN=CN=C3)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:96174

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