1,3-dimethyl-7-(2-methylsulfinylethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-methylsulfinylethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-methylsulfinylethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylsulfinylethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylsulfinylethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylsulfinylethyl)xanthine Formula: C10H14N4O3S MolecularWeight: 270.30816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCS(=O)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCS(=O)C

InChI

InChI=1S/C10H14N4O3S/c1-12-8-7(9(15)13(2)10(12)16)14(6-11-8)4-5-18(3)17/h6H,4-5H2,1-3H3