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1,3-Dimethyl-7-[3-(pyrrolidin-2-ylideneamino)-propyl]-3,7-dihydro-purine-2,6-dione
SpectraBase Compound ID 77AKvTZvsUd
InChI InChI=1S/C14H20N6O2/c1-18-12-11(13(21)19(2)14(18)22)20(9-17-12)8-4-7-16-10-5-3-6-15-10/h9H,3-8H2,1-2H3,(H,15,16)
InChIKey JJWHIJLFKFHIAG-UHFFFAOYSA-N
Mol Weight 304.35 g/mol
Molecular Formula C14H20N6O2
Exact Mass 304.164774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E072pIsZOVF
Name 1,3-Dimethyl-7-[3-(pyrrolidin-2-ylideneamino)-propyl]-3,7-dihydro-purine-2,6-dione
Alternate Name(s) 1,3-Dimethyl-7-[3-(1-pyrrolin-2-ylamino)propyl]xanthine 7-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]-1,3-dimethyl-purine-2,6-dione
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Formula C14H20N6O2
InChI InChI=1S/C14H20N6O2/c1-18-12-11(13(21)19(2)14(18)22)20(9-17-12)8-4-7-16-10-5-3-6-15-10/h9H,3-8H2,1-2H3,(H,15,16)
InChIKey JJWHIJLFKFHIAG-UHFFFAOYSA-N
Molecular Weight 304.354 g/mol
SMILES N1CCC\C1=N\CCC[n]1c2c(N(C(N(C)C2=O)=O)C)nc1
SPLASH splash10-01ot-9400000000-e611401a179d0dbdb8a8
Wiley ID 1458687