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

Systemtic Name: 1,3,7-trimethyl-8-(pyridin-2-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(2-pyridylmethylsulfanyl)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(2-pyridinylmethylthio)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(pyridin-2-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(2-pyridylmethylthio)xanthine Formula: C14H15N5O2S MolecularWeight: 317.3662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC3=CC=CC=N3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC3=CC=CC=N3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H15N5O2S/c1-17-10-11(18(2)14(21)19(3)12(10)20)16-13(17)22-8-9-6-4-5-7-15-9/h4-7H,8H2,1-3H3