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7-dodecyl-3-methyl-8-[(2S)-2-oxidanylpropyl]sulfanyl-purine-2,6-dione
7-dodecyl-3-methyl-8-[(2S)-2-oxidanylpropyl]sulfanyl-purine-2,6-dione
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCCCCCCCN1C2=C(N=C1SCC(C)O)N(C(=O)NC2=O)C
Isomeric SMILES
CCCCCCCCCCCCN1C2=C(N=C1SC[C@H](C)O)N(C(=O)NC2=O)C
InChI
InChI=1S/C21H36N4O3S/c1-4-5-6-7-8-9-10-11-12-13-14-25-17-18(22-21(25)29-15-16(2)26)24(3)20(28)23-19(17)27/h16,26H,4-15H2,1-3H3,(H,23,27,28)/t16-/m0/s1
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