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1,3-Dimethyl-9-{3-[4-(2'-methoxyphenyl)-1-piperazinyl]propyl}-2,4,8-trioxo-1,3-dihydro-9H-1,3-diazacyclohepta[2,1-f]purine
SpectraBase Compound ID AGbI9FwSx9u
InChI InChI=1S/C25H33N7O4/c1-27-22-21(23(34)28(2)25(27)35)32-12-6-10-20(33)31(24(32)26-22)13-7-11-29-14-16-30(17-15-29)18-8-4-5-9-19(18)36-3/h4-5,8-9H,6-7,10-17H2,1-3H3
InChIKey BMZUXWHLOYHECO-UHFFFAOYSA-N
Mol Weight 495.6 g/mol
Molecular Formula C25H33N7O4
Exact Mass 495.259403 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ba1LYO1mm9K
Name 1,3-Dimethyl-9-{3-[4-(2'-methoxyphenyl)-1-piperazinyl]propyl}-2,4,8-trioxo-1,3-dihydro-9H-1,3-diazacyclohepta[2,1-f]purine
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Formula C25H33N7O4
InChI InChI=1S/C25H33N7O4/c1-27-22-21(23(34)28(2)25(27)35)32-12-6-10-20(33)31(24(32)26-22)13-7-11-29-14-16-30(17-15-29)18-8-4-5-9-19(18)36-3/h4-5,8-9H,6-7,10-17H2,1-3H3
InChIKey BMZUXWHLOYHECO-UHFFFAOYSA-N
Molecular Weight 495.584 g/mol
SMILES c12c([n]3CCCC(N(c3n2)CCCN2CCN(CC2)c2c(OC)cccc2)=O)C(N(C)C(N1C)=O)=O
SPLASH splash10-053r-3482900000-7e1d6ad0f669e49a6c56
Source of Spectrum EMC-34-170-9b
Synonyms 10-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)-1,3-dimethyl-7,8-dihydro-1H-[1,3]diazepino[2,1-f]purine-2,4,9(3H,6H,10H)-trione 10-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a][1,3]diazepine-2,4,9-trione 10-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a][1,3]diazepine-2,4,9-trione
Wiley ID 1734496