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1,3-Dimethyl-8-(4-morpholinyl)-7-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]purine-2,6-dione
SpectraBase Compound ID DAypakTa0N3
InChI InChI=1S/C20H31N7O3/c1-24-17-16(18(28)25(2)20(24)29)27(19(23-17)26-11-13-30-14-12-26)10-6-9-22-15-7-4-3-5-8-21-15/h3-14H2,1-2H3,(H,21,22)
InChIKey GKOUOKFPGRUDDS-UHFFFAOYSA-N
Mol Weight 417.51 g/mol
Molecular Formula C20H31N7O3
Exact Mass 417.248838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdkbdgWp8eg
Name 1,3-Dimethyl-8-(4-morpholinyl)-7-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31N7O3
InChI InChI=1S/C20H31N7O3/c1-24-17-16(18(28)25(2)20(24)29)27(19(23-17)26-11-13-30-14-12-26)10-6-9-22-15-7-4-3-5-8-21-15/h3-14H2,1-2H3,(H,21,22)
InChIKey GKOUOKFPGRUDDS-UHFFFAOYSA-N
Molecular Weight 417.514 g/mol
SMILES N1CCCCC\C1=N\CCC[n]1c2c(nc1N1CCOCC1)N(C(N(C)C2=O)=O)C
SPLASH splash10-0f9i-8900000000-8dab8e9965b3b036308f
Synonyms 1,3-Dimethyl-8-morpholin-4-yl-7-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]purine-2,6-dione 1,3-Dimethyl-8-morpholino-7-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]purine-2,6-dione 1,3-Dimethyl-8-morpholino-7-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]xanthine
Wiley ID 1459878