7-ethyl-1,3-dimethyl-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-(2-oxopropylthio)purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-(2-oxopropylsulfanyl)purine-2,6-dione Traditional Name: 8-(acetonylthio)-7-ethyl-1,3-dimethyl-xanthine Formula: C12H16N4O3S MolecularWeight: 296.34544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H16N4O3S/c1-5-16-8-9(13-11(16)20-6-7(2)17)14(3)12(19)15(4)10(8)18/h5-6H2,1-4H3