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3-[4-ethoxy-6-[(tetrahydro-furan-2-ylmethyl)-amino]-[1,3,5]triazin-2-yl]-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
SpectraBase Compound ID JSbbSPgZGtd
InChI InChI=1S/C21H28N6O3/c1-2-29-21-24-19(22-10-16-5-4-8-30-16)23-20(25-21)26-11-14-9-15(13-26)17-6-3-7-18(28)27(17)12-14/h3,6-7,14-16H,2,4-5,8-13H2,1H3,(H,22,23,24,25)
InChIKey LMNIOCFOSWSGKT-UHFFFAOYSA-N
Mol Weight 412.49 g/mol
Molecular Formula C21H28N6O3
Exact Mass 412.222289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATODweYA9DE
Name 3-[4-ethoxy-6-[(tetrahydro-furan-2-ylmethyl)-amino]-[1,3,5]triazin-2-yl]-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
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Formula C21H28N6O3
InChI InChI=1S/C21H28N6O3/c1-2-29-21-24-19(22-10-16-5-4-8-30-16)23-20(25-21)26-11-14-9-15(13-26)17-6-3-7-18(28)27(17)12-14/h3,6-7,14-16H,2,4-5,8-13H2,1H3,(H,22,23,24,25)
InChIKey LMNIOCFOSWSGKT-UHFFFAOYSA-N
Molecular Weight 412.494 g/mol
SMILES N(c1nc(nc(n1)N1CC2CN3C(C(C1)C2)=CC=CC3=O)OCC)CC1CCCO1
SPLASH splash10-002f-9824000000-7ab3c1b55b79df5bd8f6
Synonyms 11-{4-ethoxy-6-[(tetrahydro-2-furanylmethyl)amino]-1,3,5-triazin-2-yl}-7,11-diazatricyclo[7.3.1.0(2,7)]trideca-2,4-dien-6-one
Wiley ID 1445697