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

Systemtic Name: 8-heptylsulfanyl-7-hexadecyl-3-methyl-purine-2,6-dione Openeye Name: 8-heptylsulfanyl-7-hexadecyl-3-methyl-purine-2,6-dione CAS Name: 8-(heptylthio)-7-hexadecyl-3-methylpurine-2,6-dione IUPAC Name: 8-heptylsulfanyl-7-hexadecyl-3-methylpurine-2,6-dione Traditional Name: 7-cetyl-8-(heptylthio)-3-methyl-xanthine Formula: C29H52N4O2S MolecularWeight: 520.81378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCCCCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCCCCCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C29H52N4O2S/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-21-23-33-25-26(32(3)28(35)31-27(25)34)30-29(33)36-24-22-20-9-7-5-2/h4-24H2,1-3H3,(H,31,34,35)