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

Systemtic Name: 7-(2-ethoxyethyl)-3-methyl-8-phenethylsulfanyl-purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-3-methyl-8-phenethylsulfanyl-purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-3-methyl-8-(phenethylthio)purine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-3-methyl-8-phenethylsulfanylpurine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-3-methyl-8-(phenethylthio)xanthine Formula: C18H22N4O3S MolecularWeight: 374.45728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCOCCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H22N4O3S/c1-3-25-11-10-22-14-15(21(2)17(24)20-16(14)23)19-18(22)26-12-9-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,20,23,24)