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

Systemtic Name: 8-heptylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-heptylsulfanyl-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-(heptylthio)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-heptylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-(heptylthio)-3-methyl-7-(2-methylallyl)xanthine Formula: C17H26N4O2S MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H26N4O2S/c1-5-6-7-8-9-10-24-17-18-14-13(21(17)11-12(2)3)15(22)19-16(23)20(14)4/h2,5-11H2,1,3-4H3,(H,19,22,23)