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7-dodecyl-3-methyl-8-phenethylsulfanyl-purine-2,6-dione

7-dodecyl-3-methyl-8-phenethylsulfanyl-purine-2,6-dione

Systemtic Name:7-dodecyl-3-methyl-8-phenethylsulfanyl-purine-2,6-dione
Openeye Name:7-dodecyl-3-methyl-8-phenethylsulfanyl-purine-2,6-dione
CAS Name:7-dodecyl-3-methyl-8-(phenethylthio)purine-2,6-dione
IUPAC Name:7-dodecyl-3-methyl-8-phenethylsulfanylpurine-2,6-dione
Traditional Name:7-lauryl-3-methyl-8-(phenethylthio)xanthine
Formula: C26H38N4O2S
MolecularWeight: 470.67052
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C


InChI

InChI=1S/C26H38N4O2S/c1-3-4-5-6-7-8-9-10-11-15-19-30-22-23(29(2)25(32)28-24(22)31)27-26(30)33-20-18-21-16-13-12-14-17-21/h12-14,16-17H,3-11,15,18-20H2,1-2H3,(H,28,31,32)


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