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

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

Systemtic Name:3-methyl-7-nonyl-8-phenacylsulfanyl-purine-2,6-dione
Openeye Name:3-methyl-7-nonyl-8-phenacylsulfanyl-purine-2,6-dione
CAS Name:3-methyl-7-nonyl-8-(phenacylthio)purine-2,6-dione
IUPAC Name:3-methyl-7-nonyl-8-phenacylsulfanylpurine-2,6-dione
Traditional Name:3-methyl-7-nonyl-8-(phenacylthio)xanthine
Formula: C23H30N4O3S
MolecularWeight: 442.5743
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C


InChI

InChI=1S/C23H30N4O3S/c1-3-4-5-6-7-8-12-15-27-19-20(26(2)22(30)25-21(19)29)24-23(27)31-16-18(28)17-13-10-9-11-14-17/h9-11,13-14H,3-8,12,15-16H2,1-2H3,(H,25,29,30)


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