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

*Links on SpectraBase are not permalinks.
1,3-Dimethyl-8-(1-piperidinyl)-7-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]purine-2,6-dione
SpectraBase Compound ID BP6aTzYa1EX
InChI InChI=1S/C20H31N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(19(23-17)26-12-7-4-8-13-26)14-11-22-15-9-5-3-6-10-21-15/h3-14H2,1-2H3,(H,21,22)
InChIKey STFZBFRAPGZEQO-UHFFFAOYSA-N
Mol Weight 401.52 g/mol
Molecular Formula C20H31N7O2
Exact Mass 401.253923 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 1ESJUAaZXxT
Name 1,3-Dimethyl-8-(1-piperidinyl)-7-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31N7O2
InChI InChI=1S/C20H31N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(19(23-17)26-12-7-4-8-13-26)14-11-22-15-9-5-3-6-10-21-15/h3-14H2,1-2H3,(H,21,22)
InChIKey STFZBFRAPGZEQO-UHFFFAOYSA-N
Molecular Weight 401.515 g/mol
SMILES N1CCCCC\C1=N\CC[n]1c2c(nc1N1CCCCC1)N(C(N(C)C2=O)=O)C
SPLASH splash10-000i-9820000000-8c19d0cef5cb7175d251
Synonyms 1,3-Dimethyl-8-(1-piperidyl)-7-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]purine-2,6-dione 1,3-Dimethyl-8-piperidin-1-yl-7-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]purine-2,6-dione 1,3-Dimethyl-8-piperidino-7-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]xanthine
Wiley ID 1460471