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3-methyl-7-octyl-8-phenacylsulfanyl-purine-2,6-dione

3-methyl-7-octyl-8-phenacylsulfanyl-purine-2,6-dione

Systemtic Name:3-methyl-7-octyl-8-phenacylsulfanyl-purine-2,6-dione
Openeye Name:3-methyl-7-octyl-8-phenacylsulfanyl-purine-2,6-dione
CAS Name:3-methyl-7-octyl-8-(phenacylthio)purine-2,6-dione
IUPAC Name:3-methyl-7-octyl-8-phenacylsulfanylpurine-2,6-dione
Traditional Name:3-methyl-7-octyl-8-(phenacylthio)xanthine
Formula: C22H28N4O3S
MolecularWeight: 428.54772
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C


InChI

InChI=1S/C22H28N4O3S/c1-3-4-5-6-7-11-14-26-18-19(25(2)21(29)24-20(18)28)23-22(26)30-15-17(27)16-12-9-8-10-13-16/h8-10,12-13H,3-7,11,14-15H2,1-2H3,(H,24,28,29)


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