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

Systemtic Name: 7-hexadecyl-8-(2-hydroxyethylsulfanyl)-3-methyl-purine-2,6-dione Openeye Name: 7-hexadecyl-8-(2-hydroxyethylsulfanyl)-3-methyl-purine-2,6-dione CAS Name: 7-hexadecyl-8-(2-hydroxyethylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-hexadecyl-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione Traditional Name: 7-cetyl-8-(2-hydroxyethylthio)-3-methyl-xanthine Formula: C24H42N4O3S MolecularWeight: 466.68028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C24H42N4O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-20-21(25-24(28)32-19-18-29)27(2)23(31)26-22(20)30/h29H,3-19H2,1-2H3,(H,26,30,31)