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1,3-Dimethyl-9-{3-[4-(3'-chlorophenyl)-1-piperazinyl]propyl}-2,4,8-trioxo-1,3-dihydro-6,7-dihydro-9H-pyrimido[2,1-f]purine
SpectraBase Compound ID KRF5E45YXNw
InChI InChI=1S/C23H28ClN7O3/c1-26-20-19(21(33)27(2)23(26)34)31-10-7-18(32)30(22(31)25-20)9-4-8-28-11-13-29(14-12-28)17-6-3-5-16(24)15-17/h3,5-6,15H,4,7-14H2,1-2H3
InChIKey GNRXSFLKCZLFEA-UHFFFAOYSA-N
Mol Weight 485.98 g/mol
Molecular Formula C23H28ClN7O3
Exact Mass 485.194215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79S2di32bGd
Name 1,3-Dimethyl-9-{3-[4-(3'-chlorophenyl)-1-piperazinyl]propyl}-2,4,8-trioxo-1,3-dihydro-6,7-dihydro-9H-pyrimido[2,1-f]purine
Alternate Name(s) 9-(3-(4-(3-chlorophenyl)piperazin-1-yl)propyl)-1,3-dimethyl-6,7-dihydropyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione 9-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-1,3-dimethyl-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione 9-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,3-dimethyl-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione
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Formula C23H28ClN7O3
InChI InChI=1S/C23H28ClN7O3/c1-26-20-19(21(33)27(2)23(26)34)31-10-7-18(32)30(22(31)25-20)9-4-8-28-11-13-29(14-12-28)17-6-3-5-16(24)15-17/h3,5-6,15H,4,7-14H2,1-2H3
InChIKey GNRXSFLKCZLFEA-UHFFFAOYSA-N
Molecular Weight 485.976 g/mol
SMILES c12nc3N(C(=O)N(C(c3[n]2CCC(N1CCCN1CCN(CC1)c1cc(Cl)ccc1)=O)=O)C)C
SPLASH splash10-0aor-3193300000-94d9fff6a7505ca382c8
Source of Spectrum EMC-34-170-7a
Wiley ID 1734501