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

Systemtic Name: 3,7-dimethyl-8-(pyridin-2-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-8-(2-pyridylmethylsulfanyl)purine-2,6-dione CAS Name: 3,7-dimethyl-8-(2-pyridinylmethylthio)purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-(pyridin-2-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 3,7-dimethyl-8-(2-pyridylmethylthio)xanthine Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC3=CC=CC=N3)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1SCC3=CC=CC=N3)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H13N5O2S/c1-17-9-10(18(2)12(20)16-11(9)19)15-13(17)21-7-8-5-3-4-6-14-8/h3-6H,7H2,1-2H3,(H,16,19,20)