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1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]-7-pentyl-purine-2,6-dione

1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]-7-pentyl-purine-2,6-dione

Systemtic Name:1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]-7-pentyl-purine-2,6-dione
Openeye Name:1,3-dimethyl-7-pentyl-8-(p-tolylmethylsulfanyl)purine-2,6-dione
CAS Name:1,3-dimethyl-8-[(4-methylphenyl)methylthio]-7-pentylpurine-2,6-dione
IUPAC Name:1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]-7-pentylpurine-2,6-dione
Traditional Name:7-amyl-1,3-dimethyl-8-[(4-methylbenzyl)thio]xanthine
Formula: C20H26N4O2S
MolecularWeight: 386.51104
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)C)N(C(=O)N(C2=O)C)C


Isomeric SMILES

CCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)C)N(C(=O)N(C2=O)C)C


InChI

InChI=1S/C20H26N4O2S/c1-5-6-7-12-24-16-17(22(3)20(26)23(4)18(16)25)21-19(24)27-13-15-10-8-14(2)9-11-15/h8-11H,5-7,12-13H2,1-4H3


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