8-butylsulfanyl-7-hexadecyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-butylsulfanyl-7-hexadecyl-3-methyl-purine-2,6-dione Openeye Name: 8-butylsulfanyl-7-hexadecyl-3-methyl-purine-2,6-dione CAS Name: 8-(butylthio)-7-hexadecyl-3-methylpurine-2,6-dione IUPAC Name: 8-butylsulfanyl-7-hexadecyl-3-methylpurine-2,6-dione Traditional Name: 8-(butylthio)-7-cetyl-3-methyl-xanthine Formula: C26H46N4O2S MolecularWeight: 478.73404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C26H46N4O2S/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-30-22-23(27-26(30)33-21-7-5-2)29(3)25(32)28-24(22)31/h4-21H2,1-3H3,(H,28,31,32)