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

Systemtic Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-pentylsulfanyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-methylallyl)-8-pentylsulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(pentylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-pentylsulfanylpurine-2,6-dione Traditional Name: 8-(amylthio)-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCSC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H24N4O2S/c1-6-7-8-9-23-15-17-13-12(20(15)10-11(2)3)14(21)19(5)16(22)18(13)4/h2,6-10H2,1,3-5H3