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

*Links on SpectraBase are not permalinks.

1H-purine-2,6-dione, 8-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-[2-(4-bromophenyl)-2-oxoethyl]-3,7-dihydro-1,3-dimethyl-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-purine-2,6-dione, 8-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-[2-(4-bromophenyl)-2-oxoethyl]-3,7-dihydro-1,3-dimethyl-
SpectraBase Compound ID 5MFfruuSivj
InChI InChI=1S/C27H27BrN6O5/c1-30-24-23(25(36)31(2)27(30)37)34(15-20(35)18-4-6-19(28)7-5-18)26(29-24)33-11-9-32(10-12-33)14-17-3-8-21-22(13-17)39-16-38-21/h3-8,13H,9-12,14-16H2,1-2H3
InChIKey XNCRJDJXKFXHNE-UHFFFAOYSA-N
Mol Weight 595.45 g/mol
Molecular Formula C27H27BrN6O5
Exact Mass 594.122631 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 6SiUolAtj1g
Name 7-[2-(4-bromophenyl)-2-keto-ethyl]-1,3-dimethyl-8-(4-piperonylpiperazino)xanthine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27BrN6O5
InChI InChI=1S/C27H27BrN6O5/c1-30-24-23(25(36)31(2)27(30)37)34(15-20(35)18-4-6-19(28)7-5-18)26(29-24)33-11-9-32(10-12-33)14-17-3-8-21-22(13-17)39-16-38-21/h3-8,13H,9-12,14-16H2,1-2H3
InChIKey XNCRJDJXKFXHNE-UHFFFAOYSA-N
Molecular Weight 595.454 g/mol
SMILES c12c([n](CC(c3ccc(cc3)Br)=O)c(n1)N1CCN(Cc3cc4OCOc4cc3)CC1)C(=O)N(C(N2C)=O)C
SPLASH splash10-000i-4910000000-ea94b355fcd3b6fe850e
Synonyms 8-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione 8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione 8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-[2-(4-bromophenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione
Wiley ID 1459637