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

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-phenethylsulfanyl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-8-phenethylsulfanyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-(phenethylthio)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-phenethylsulfanylpurine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-methyl-8-(phenethylthio)xanthine Formula: C17H20N4O3S MolecularWeight: 360.4307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC3=CC=CC=C3)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC3=CC=CC=C3)CCOC

InChI

InChI=1S/C17H20N4O3S/c1-20-14-13(15(22)19-16(20)23)21(9-10-24-2)17(18-14)25-11-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,19,22,23)