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1,3-Dimethyl-8-(4-morpholinyl)-7-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]purine-2,6-dione
SpectraBase Compound ID CU2mkGTbcpB
InChI InChI=1S/C19H29N7O3/c1-23-16-15(17(27)24(2)19(23)28)26(18(22-16)25-10-12-29-13-11-25)9-8-21-14-6-4-3-5-7-20-14/h3-13H2,1-2H3,(H,20,21)
InChIKey NXGZPRNYVOUPMD-UHFFFAOYSA-N
Mol Weight 403.49 g/mol
Molecular Formula C19H29N7O3
Exact Mass 403.233188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CiWziEHQN3c
Name 1,3-Dimethyl-8-(4-morpholinyl)-7-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]purine-2,6-dione
Alternate Name(s) 1,3-Dimethyl-8-morpholin-4-yl-7-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]purine-2,6-dione 1,3-Dimethyl-8-morpholino-7-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]purine-2,6-dione 1,3-Dimethyl-8-morpholino-7-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]xanthine
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Formula C19H29N7O3
InChI InChI=1S/C19H29N7O3/c1-23-16-15(17(27)24(2)19(23)28)26(18(22-16)25-10-12-29-13-11-25)9-8-21-14-6-4-3-5-7-20-14/h3-13H2,1-2H3,(H,20,21)
InChIKey NXGZPRNYVOUPMD-UHFFFAOYSA-N
Molecular Weight 403.487 g/mol
SMILES N1CCCCC\C1=N\CC[n]1c2c(nc1N1CCOCC1)N(C(N(C)C2=O)=O)C
SPLASH splash10-000i-9710000000-13a0dcd6042753dcdc73
Wiley ID 1459880