1,3-dimethyl-7-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(thieno[2,3-d]pyrimidin-4-ylthio)ethyl]xanthine Formula: C15H14N6O2S2 MolecularWeight: 374.44066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC=NC4=C3C=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C15H14N6O2S2/c1-19-11-10(14(22)20(2)15(19)23)21(8-18-11)4-6-25-13-9-3-5-24-12(9)16-7-17-13/h3,5,7-8H,4,6H2,1-2H3