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3-[4-morpholin-4-yl-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 8zR0Y0zwrpB
InChI InChI=1S/C23H31N7O3/c31-20-5-1-4-19-17-11-16(14-30(19)20)13-29(15-17)23-26-21(24-12-18-3-2-8-33-18)25-22(27-23)28-6-9-32-10-7-28/h1,4-5,16-18H,2-3,6-15H2,(H,24,25,26,27)
InChIKey YZJWVFZLSAHUJK-UHFFFAOYSA-N
Mol Weight 453.55 g/mol
Molecular Formula C23H31N7O3
Exact Mass 453.248838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4enhhZWfQ
Name 3-[4-morpholin-4-yl-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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31N7O3
InChI InChI=1S/C23H31N7O3/c31-20-5-1-4-19-17-11-16(14-30(19)20)13-29(15-17)23-26-21(24-12-18-3-2-8-33-18)25-22(27-23)28-6-9-32-10-7-28/h1,4-5,16-18H,2-3,6-15H2,(H,24,25,26,27)
InChIKey YZJWVFZLSAHUJK-UHFFFAOYSA-N
Molecular Weight 453.547 g/mol
SMILES N(c1nc(nc(n1)N1CC2CN3C(C(C1)C2)=CC=CC3=O)N1CCOCC1)CC1CCCO1
SPLASH splash10-0kgc-9735200000-5359ef59db69d1f8d553
Synonyms 11-{4-(4-morpholinyl)-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 1445708