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

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-nonylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-nonylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(nonylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-8-nonylsulfanylpurine-2,6-dione Traditional Name: 3-methyl-7-(2-methylallyl)-8-(nonylthio)xanthine Formula: C19H30N4O2S MolecularWeight: 378.5321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O2S/c1-5-6-7-8-9-10-11-12-26-19-20-16-15(23(19)13-14(2)3)17(24)21-18(25)22(16)4/h2,5-13H2,1,3-4H3,(H,21,24,25)