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

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

Systemtic Name:7-butyl-3-methyl-8-octadecylsulfanyl-purine-2,6-dione
Openeye Name:7-butyl-3-methyl-8-octadecylsulfanyl-purine-2,6-dione
CAS Name:7-butyl-3-methyl-8-(octadecylthio)purine-2,6-dione
IUPAC Name:7-butyl-3-methyl-8-octadecylsulfanylpurine-2,6-dione
Traditional Name:7-butyl-3-methyl-8-(stearylthio)xanthine
Formula: C28H50N4O2S
MolecularWeight: 506.7872
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NC2=C(N1CCCC)C(=O)NC(=O)N2C


Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NC2=C(N1CCCC)C(=O)NC(=O)N2C


InChI

InChI=1S/C28H50N4O2S/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-35-28-29-25-24(32(28)22-7-5-2)26(33)30-27(34)31(25)3/h4-23H2,1-3H3,(H,30,33,34)


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