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7-ethyl-3-methyl-8-[4-(3-phenylpropyl)piperazin-1-yl]purine-2,6-dione
7-ethyl-3-methyl-8-[4-(3-phenylpropyl)piperazin-1-yl]purine-2,6-dione
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Descriptors Computed from Structure
Canonical SMILES:
CCN1C2=C(N=C1N3CCN(CC3)CCCC4=CC=CC=C4)N(C(=O)NC2=O)C
Isomeric SMILES
CCN1C2=C(N=C1N3CCN(CC3)CCCC4=CC=CC=C4)N(C(=O)NC2=O)C
InChI
InChI=1S/C21H28N6O2/c1-3-27-17-18(24(2)21(29)23-19(17)28)22-20(27)26-14-12-25(13-15-26)11-7-10-16-8-5-4-6-9-16/h4-6,8-9H,3,7,10-15H2,1-2H3,(H,23,28,29)
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