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7-dodecyl-3-methyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione
7-dodecyl-3-methyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCCCCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)C)N(C(=O)NC2=O)C
Isomeric SMILES
CCCCCCCCCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)C)N(C(=O)NC2=O)C
InChI
InChI=1S/C26H38N4O2S/c1-4-5-6-7-8-9-10-11-12-13-18-30-22-23(29(3)25(32)28-24(22)31)27-26(30)33-19-21-16-14-20(2)15-17-21/h14-17H,4-13,18-19H2,1-3H3,(H,28,31,32)
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