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1,3-dimethyl-7-(2-methylprop-2-enyl)-8-nonylsulfanyl-purine-2,6-dione

1,3-dimethyl-7-(2-methylprop-2-enyl)-8-nonylsulfanyl-purine-2,6-dione

Systemtic Name:1,3-dimethyl-7-(2-methylprop-2-enyl)-8-nonylsulfanyl-purine-2,6-dione
Openeye Name:1,3-dimethyl-7-(2-methylallyl)-8-nonylsulfanyl-purine-2,6-dione
CAS Name:1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(nonylthio)purine-2,6-dione
IUPAC Name:1,3-dimethyl-7-(2-methylprop-2-enyl)-8-nonylsulfanylpurine-2,6-dione
Traditional Name:1,3-dimethyl-7-(2-methylallyl)-8-(nonylthio)xanthine
Formula: C20H32N4O2S
MolecularWeight: 392.55868
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C


Isomeric SMILES

CCCCCCCCCSC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C


InChI

InChI=1S/C20H32N4O2S/c1-6-7-8-9-10-11-12-13-27-19-21-17-16(24(19)14-15(2)3)18(25)23(5)20(26)22(17)4/h2,6-14H2,1,3-5H3


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