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

Systemtic Name: 7-hexadecyl-3-methyl-8-propylsulfanyl-purine-2,6-dione Openeye Name: 7-hexadecyl-3-methyl-8-propylsulfanyl-purine-2,6-dione CAS Name: 7-hexadecyl-3-methyl-8-(propylthio)purine-2,6-dione IUPAC Name: 7-hexadecyl-3-methyl-8-propylsulfanylpurine-2,6-dione Traditional Name: 7-cetyl-3-methyl-8-(propylthio)xanthine Formula: C25H44N4O2S MolecularWeight: 464.70746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C25H44N4O2S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-21-22(26-25(29)32-20-5-2)28(3)24(31)27-23(21)30/h4-20H2,1-3H3,(H,27,30,31)