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

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-phenethylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-phenethylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(phenethylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-8-phenethylsulfanylpurine-2,6-dione Traditional Name: 3-methyl-7-(2-methylallyl)-8-(phenethylthio)xanthine Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H20N4O2S/c1-12(2)11-22-14-15(21(3)17(24)20-16(14)23)19-18(22)25-10-9-13-7-5-4-6-8-13/h4-8H,1,9-11H2,2-3H3,(H,20,23,24)