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

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

Systemtic Name:3-methyl-8-nonylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione
Openeye Name:3-methyl-8-nonylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione
CAS Name:3-methyl-8-(nonylthio)-7-(3-phenylpropyl)purine-2,6-dione
IUPAC Name:3-methyl-8-nonylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione
Traditional Name:3-methyl-8-(nonylthio)-7-(3-phenylpropyl)xanthine
Formula: C24H34N4O2S
MolecularWeight: 442.61736
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C


Isomeric SMILES

CCCCCCCCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C


InChI

InChI=1S/C24H34N4O2S/c1-3-4-5-6-7-8-12-18-31-24-25-21-20(22(29)26-23(30)27(21)2)28(24)17-13-16-19-14-10-9-11-15-19/h9-11,14-15H,3-8,12-13,16-18H2,1-2H3,(H,26,29,30)


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