7-dodecyl-8-ethylsulfanyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-dodecyl-8-ethylsulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-dodecyl-8-ethylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-dodecyl-8-(ethylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 8-(ethylthio)-7-lauryl-3-methyl-xanthine Formula: C20H34N4O2S MolecularWeight: 394.57456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1SCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1SCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H34N4O2S/c1-4-6-7-8-9-10-11-12-13-14-15-24-16-17(21-20(24)27-5-2)23(3)19(26)22-18(16)25/h4-15H2,1-3H3,(H,22,25,26)