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

Systemtic Name: 7-hexadecyl-3-methyl-8-nonylsulfanyl-purine-2,6-dione Openeye Name: 7-hexadecyl-3-methyl-8-nonylsulfanyl-purine-2,6-dione CAS Name: 7-hexadecyl-3-methyl-8-(nonylthio)purine-2,6-dione IUPAC Name: 7-hexadecyl-3-methyl-8-nonylsulfanylpurine-2,6-dione Traditional Name: 7-cetyl-3-methyl-8-(nonylthio)xanthine Formula: C31H56N4O2S MolecularWeight: 548.86694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCCCCCCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCCCCCCCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C31H56N4O2S/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-23-25-35-27-28(34(3)30(37)33-29(27)36)32-31(35)38-26-24-22-20-11-9-7-5-2/h4-26H2,1-3H3,(H,33,36,37)