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

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-3-methyl-7-(2-methylallyl)xanthine Formula: C13H16N4O2S MolecularWeight: 292.35674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H16N4O2S/c1-5-6-20-13-14-10-9(17(13)7-8(2)3)11(18)15-12(19)16(10)4/h5H,1-2,6-7H2,3-4H3,(H,15,18,19)