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7-hexyl-3-methyl-8-octadecylsulfanyl-purine-2,6-dione

7-hexyl-3-methyl-8-octadecylsulfanyl-purine-2,6-dione

Systemtic Name:7-hexyl-3-methyl-8-octadecylsulfanyl-purine-2,6-dione
Openeye Name:7-hexyl-3-methyl-8-octadecylsulfanyl-purine-2,6-dione
CAS Name:7-hexyl-3-methyl-8-(octadecylthio)purine-2,6-dione
IUPAC Name:7-hexyl-3-methyl-8-octadecylsulfanylpurine-2,6-dione
Traditional Name:7-hexyl-3-methyl-8-(stearylthio)xanthine
Formula: C30H54N4O2S
MolecularWeight: 534.84036
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NC2=C(N1CCCCCC)C(=O)NC(=O)N2C


Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NC2=C(N1CCCCCC)C(=O)NC(=O)N2C


InChI

InChI=1S/C30H54N4O2S/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-25-37-30-31-27-26(28(35)32-29(36)33(27)3)34(30)24-22-9-7-5-2/h4-25H2,1-3H3,(H,32,35,36)


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