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

Systemtic Name: 1,3-dimethyl-8-(pyridin-3-ylmethylsulfanyl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(3-pyridylmethylsulfanyl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(3-pyridinylmethylthio)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(pyridin-3-ylmethylsulfanyl)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(3-pyridylmethylthio)-7H-purine-2,6-quinone Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3=CN=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3=CN=CC=C3

InChI

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