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

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Openeye Name: 8-isobutylsulfanyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-(2-methylpropylthio)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Traditional Name: 8-(isobutylthio)-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C13H20N4O3S MolecularWeight: 312.3879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H20N4O3S/c1-8(2)7-21-13-14-10-9(17(13)5-6-20-4)11(18)15-12(19)16(10)3/h8H,5-7H2,1-4H3,(H,15,18,19)