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8-decylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

8-decylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name:8-decylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Openeye Name:8-decylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
CAS Name:8-(decylthio)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
IUPAC Name:8-decylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Traditional Name:8-(decylthio)-3-methyl-7-(3-phenylpropyl)xanthine
Formula: C25H36N4O2S
MolecularWeight: 456.64394
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C


Isomeric SMILES

CCCCCCCCCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C


InChI

InChI=1S/C25H36N4O2S/c1-3-4-5-6-7-8-9-13-19-32-25-26-22-21(23(30)27-24(31)28(22)2)29(25)18-14-17-20-15-11-10-12-16-20/h10-12,15-16H,3-9,13-14,17-19H2,1-2H3,(H,27,30,31)


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