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

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

Systemtic Name:3-methyl-7-nonyl-8-(phenylmethylsulfanyl)purine-2,6-dione
Openeye Name:8-benzylsulfanyl-3-methyl-7-nonyl-purine-2,6-dione
CAS Name:3-methyl-7-nonyl-8-(phenylmethylthio)purine-2,6-dione
IUPAC Name:8-benzylsulfanyl-3-methyl-7-nonylpurine-2,6-dione
Traditional Name:8-(benzylthio)-3-methyl-7-nonyl-xanthine
Formula: C22H30N4O2S
MolecularWeight: 414.5642
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C


InChI

InChI=1S/C22H30N4O2S/c1-3-4-5-6-7-8-12-15-26-18-19(25(2)21(28)24-20(18)27)23-22(26)29-16-17-13-10-9-11-14-17/h9-11,13-14H,3-8,12,15-16H2,1-2H3,(H,24,27,28)


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