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3-methyl-7-nonyl-8-phenethylsulfanyl-purine-2,6-dione

3-methyl-7-nonyl-8-phenethylsulfanyl-purine-2,6-dione

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

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C


InChI

InChI=1S/C23H32N4O2S/c1-3-4-5-6-7-8-12-16-27-19-20(26(2)22(29)25-21(19)28)24-23(27)30-17-15-18-13-10-9-11-14-18/h9-11,13-14H,3-8,12,15-17H2,1-2H3,(H,25,28,29)


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