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3-methyl-7-[(3-methylphenyl)methyl]-8-nonylsulfanyl-purine-2,6-dione
3-methyl-7-[(3-methylphenyl)methyl]-8-nonylsulfanyl-purine-2,6-dione
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCCCCSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C
Isomeric SMILES
CCCCCCCCCSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C
InChI
InChI=1S/C23H32N4O2S/c1-4-5-6-7-8-9-10-14-30-23-24-20-19(21(28)25-22(29)26(20)3)27(23)16-18-13-11-12-17(2)15-18/h11-13,15H,4-10,14,16H2,1-3H3,(H,25,28,29)
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