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

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

Systemtic Name:3-methyl-8-octylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione
Openeye Name:3-methyl-8-octylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione
CAS Name:3-methyl-8-(octylthio)-7-(3-phenylpropyl)purine-2,6-dione
IUPAC Name:3-methyl-8-octylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione
Traditional Name:3-methyl-8-(octylthio)-7-(3-phenylpropyl)xanthine
Formula: C23H32N4O2S
MolecularWeight: 428.59078
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C


Isomeric SMILES

CCCCCCCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C


InChI

InChI=1S/C23H32N4O2S/c1-3-4-5-6-7-11-17-30-23-24-20-19(21(28)25-22(29)26(20)2)27(23)16-12-15-18-13-9-8-10-14-18/h8-10,13-14H,3-7,11-12,15-17H2,1-2H3,(H,25,28,29)


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