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1,3-Dimethyl-9-{3-[4-(3'-chlorophenyl)-1-piperazinyl]propyl}-2,4,8-trioxo-1,3-dihydro-9H-1,3-diazacyclohepta[2,1-f]purine

View entire compound with spectra: 1 MS (GC)

1,3-Dimethyl-9-{3-[4-(3'-chlorophenyl)-1-piperazinyl]propyl}-2,4,8-trioxo-1,3-dihydro-9H-1,3-diazacyclohepta[2,1-f]purine
SpectraBase Compound ID KlXLWQYXKN
InChI InChI=1S/C24H30ClN7O3/c1-27-21-20(22(34)28(2)24(27)35)32-10-4-8-19(33)31(23(32)26-21)11-5-9-29-12-14-30(15-13-29)18-7-3-6-17(25)16-18/h3,6-7,16H,4-5,8-15H2,1-2H3
InChIKey XMYDBJGMIRIHSZ-UHFFFAOYSA-N
Mol Weight 500.0 g/mol
Molecular Formula C24H30ClN7O3
Exact Mass 499.209866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AesapyV2AxP
Name 1,3-Dimethyl-9-{3-[4-(3'-chlorophenyl)-1-piperazinyl]propyl}-2,4,8-trioxo-1,3-dihydro-9H-1,3-diazacyclohepta[2,1-f]purine
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Formula C24H30ClN7O3
InChI InChI=1S/C24H30ClN7O3/c1-27-21-20(22(34)28(2)24(27)35)32-10-4-8-19(33)31(23(32)26-21)11-5-9-29-12-14-30(15-13-29)18-7-3-6-17(25)16-18/h3,6-7,16H,4-5,8-15H2,1-2H3
InChIKey XMYDBJGMIRIHSZ-UHFFFAOYSA-N
Molecular Weight 500.003 g/mol
SMILES c12c([n]3CCCC(N(c3n2)CCCN2CCN(CC2)c2cc(Cl)ccc2)=O)C(N(C)C(N1C)=O)=O
SPLASH splash10-0a59-6387900000-62048e913eb841a1e649
Source of Spectrum EMC-34-170-9a
Synonyms 10-(3-(4-(3-chlorophenyl)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-(3-chlorophenyl)-1-piperazinyl]propyl]-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a][1,3]diazepine-2,4,9-trione 10-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a][1,3]diazepine-2,4,9-trione
Wiley ID 1734497