1,3-dimethyl-8-(pyridin-3-ylmethylsulfanyl)-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 1,3-dimethyl-8-(pyridin-3-ylmethylsulfanyl)-6-sulfanylidene-7H-purin-2-one Openeye Name: 1,3-dimethyl-8-(3-pyridylmethylsulfanyl)-6-thioxo-7H-purin-2-one CAS Name: 1,3-dimethyl-8-(3-pyridinylmethylthio)-6-sulfanylidene-7H-purin-2-one IUPAC Name: 1,3-dimethyl-8-(pyridin-3-ylmethylsulfanyl)-6-sulfanylidene-7H-purin-2-one Traditional Name: 1,3-dimethyl-8-(3-pyridylmethylthio)-6-thioxo-7H-purin-2-one Formula: C13H13N5OS2 MolecularWeight: 319.40522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5OS2/c1-17-10-9(11(20)18(2)13(17)19)15-12(16-10)21-7-8-4-3-5-14-6-8/h3-6H,7H2,1-2H3,(H,15,16)