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8-dodecylsulfanyl-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
8-dodecylsulfanyl-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCCCCCCCSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C
Isomeric SMILES
CCCCCCCCCCCCSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C
InChI
InChI=1S/C26H38N4O2S/c1-4-5-6-7-8-9-10-11-12-13-17-33-26-27-23-22(24(31)28-25(32)29(23)3)30(26)19-21-16-14-15-20(2)18-21/h14-16,18H,4-13,17,19H2,1-3H3,(H,28,31,32)
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