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3-methyl-7-nonyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione

3-methyl-7-nonyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione

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

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C


InChI

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


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