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7-[3-(Azepan-2-ylideneamino)-2-hydroxy-propyl]-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
SpectraBase Compound ID 26TR5UXLQVC
InChI InChI=1S/C16H24N6O3/c1-20-14-13(15(24)21(2)16(20)25)22(10-19-14)9-11(23)8-18-12-6-4-3-5-7-17-12/h10-11,23H,3-9H2,1-2H3,(H,17,18)
InChIKey POZFHYFEAKLZSG-UHFFFAOYSA-N
Mol Weight 348.41 g/mol
Molecular Formula C16H24N6O3
Exact Mass 348.190989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RfSyOF0ivB
Name 7-[3-(Azepan-2-ylideneamino)-2-hydroxy-propyl]-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Alternate Name(s) 1,3-Dimethyl-7-[2-oxidanyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]purine-2,6-dione 7-(3-[(2E)-Azepanylideneamino]-2-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 7-[2-hydroxy-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]-1,3-dimethyl-purine-2,6-dione 7-[2-hydroxy-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]-1,3-dimethyl-xanthine
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Formula C16H24N6O3
InChI InChI=1S/C16H24N6O3/c1-20-14-13(15(24)21(2)16(20)25)22(10-19-14)9-11(23)8-18-12-6-4-3-5-7-17-12/h10-11,23H,3-9H2,1-2H3,(H,17,18)
InChIKey POZFHYFEAKLZSG-UHFFFAOYSA-N
Molecular Weight 348.407 g/mol
SMILES N1CCCCC\C1=N\CC(C[n]1c2c(N(C(N(C)C2=O)=O)C)nc1)O
SPLASH splash10-0a4i-2900000000-4ce6ed55dd7fb5579c0d
Wiley ID 1461768