For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl 4-{[3-(Diethylamino)propyl]amino}-8-isopropyl-2-phenyl-5,8,9,10-tetrahydropyrimido[4,5-d]-azocine-6-carboxylate
SpectraBase Compound ID 5Jlnv01qBBP
InChI InChI=1S/C27H39N5O2/c1-6-31(7-2)16-11-15-28-26-23-18-22(27(33)34-5)19-32(20(3)4)17-14-24(23)29-25(30-26)21-12-9-8-10-13-21/h8-10,12-13,19-20H,6-7,11,14-18H2,1-5H3,(H,28,29,30)/b22-19+
InChIKey UNBZCEWKTVYZBB-ZBJSNUHESA-N
Mol Weight 465.6 g/mol
Molecular Formula C27H39N5O2
Exact Mass 465.310376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7s7EclvNzV9
Name Methyl 4-{[3-(Diethylamino)propyl]amino}-8-isopropyl-2-phenyl-5,8,9,10-tetrahydropyrimido[4,5-d]-azocine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H39N5O2
InChI InChI=1S/C27H39N5O2/c1-6-31(7-2)16-11-15-28-26-23-18-22(27(33)34-5)19-32(20(3)4)17-14-24(23)29-25(30-26)21-12-9-8-10-13-21/h8-10,12-13,19-20H,6-7,11,14-18H2,1-5H3,(H,28,29,30)/b22-19+
InChIKey UNBZCEWKTVYZBB-ZBJSNUHESA-N
Molecular Weight 465.642 g/mol
SMILES N(c1nc(nc2c1C\C(=C/N(CC2)C(C)C)C(=O)OC)-c1ccccc1)CCCN(CC)CC
SPLASH splash10-000b-2009200000-3fa451de57f587b5fa55
Source of Spectrum HC-49-1185-15
Synonyms (E)-methyl 4-((3-(diethylamino)propyl)amino)-8-isopropyl-2-phenyl-5,8,9,10-tetrahydropyrimido[4,5-d]azocine-6-carboxylate
Wiley ID 1739512