7-dodecyl-8-(2-hydroxyethylsulfanyl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-dodecyl-8-(2-hydroxyethylsulfanyl)-3-methyl-purine-2,6-dione Openeye Name: 7-dodecyl-8-(2-hydroxyethylsulfanyl)-3-methyl-purine-2,6-dione CAS Name: 7-dodecyl-8-(2-hydroxyethylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-dodecyl-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylthio)-7-lauryl-3-methyl-xanthine Formula: C20H34N4O3S MolecularWeight: 410.57396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H34N4O3S/c1-3-4-5-6-7-8-9-10-11-12-13-24-16-17(21-20(24)28-15-14-25)23(2)19(27)22-18(16)26/h25H,3-15H2,1-2H3,(H,22,26,27)