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3,7-dimethyl-1-[3-[(4-methylphenyl)methylsulfanyl]propyl]purine-2,6-dione
3,7-dimethyl-1-[3-[(4-methylphenyl)methylsulfanyl]propyl]purine-2,6-dione
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC=C(C=C1)CSCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C
Isomeric SMILES
CC1=CC=C(C=C1)CSCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C
InChI
InChI=1S/C18H22N4O2S/c1-13-5-7-14(8-6-13)11-25-10-4-9-22-17(23)15-16(19-12-20(15)2)21(3)18(22)24/h5-8,12H,4,9-11H2,1-3H3
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- 1-[3-[(3,5-dimethylphenyl)methylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione
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