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

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

Systemtic Name:7-decyl-3-methyl-8-phenacylsulfanyl-purine-2,6-dione
Openeye Name:7-decyl-3-methyl-8-phenacylsulfanyl-purine-2,6-dione
CAS Name:7-decyl-3-methyl-8-(phenacylthio)purine-2,6-dione
IUPAC Name:7-decyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione
Traditional Name:7-decyl-3-methyl-8-(phenacylthio)xanthine
Formula: C24H32N4O3S
MolecularWeight: 456.60088
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C


InChI

InChI=1S/C24H32N4O3S/c1-3-4-5-6-7-8-9-13-16-28-20-21(27(2)23(31)26-22(20)30)25-24(28)32-17-19(29)18-14-11-10-12-15-18/h10-12,14-15H,3-9,13,16-17H2,1-2H3,(H,26,30,31)


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