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

*Links on SpectraBase are not permalinks.
1H-purine-2,6-dione, 7-[2-(4-bromophenyl)-2-oxoethyl]-3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)-
SpectraBase Compound ID 9MgO6jEisoa
InChI InChI=1S/C20H23BrN6O3/c1-23-8-10-26(11-9-23)19-22-17-16(18(29)25(3)20(30)24(17)2)27(19)12-15(28)13-4-6-14(21)7-5-13/h4-7H,8-12H2,1-3H3
InChIKey ZBDXFKAFSDVTKP-UHFFFAOYSA-N
Mol Weight 475.35 g/mol
Molecular Formula C20H23BrN6O3
Exact Mass 474.101502 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 LwVYJSvuSCZ
Name 7-[2-(4-bromophenyl)-2-keto-ethyl]-1,3-dimethyl-8-(4-methylpiperazino)xanthine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23BrN6O3
InChI InChI=1S/C20H23BrN6O3/c1-23-8-10-26(11-9-23)19-22-17-16(18(29)25(3)20(30)24(17)2)27(19)12-15(28)13-4-6-14(21)7-5-13/h4-7H,8-12H2,1-3H3
InChIKey ZBDXFKAFSDVTKP-UHFFFAOYSA-N
Molecular Weight 475.347 g/mol
SMILES c12c([n](CC(c3ccc(cc3)Br)=O)c(n1)N1CCN(CC1)C)C(=O)N(C(N2C)=O)C
SPLASH splash10-00di-9321200000-951b311eed8c8e12eed7
Synonyms 7-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione 7-[2-(4-bromophenyl)-2-oxo-ethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione 7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methyl-1-piperazinyl)purine-2,6-dione
Wiley ID 1459947