8-(2-hydroxyethylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(2-hydroxyethylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylthio)-1,3,7-trimethyl-xanthine Formula: C10H14N4O3S MolecularWeight: 270.30816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCCO)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCCO)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C10H14N4O3S/c1-12-6-7(11-9(12)18-5-4-15)13(2)10(17)14(3)8(6)16/h15H,4-5H2,1-3H3