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

Systemtic Name: 1,3-dimethyl-8-(phenylmethylsulfanyl)-6-sulfanylidene-7H-purin-2-one Openeye Name: 8-benzylsulfanyl-1,3-dimethyl-6-thioxo-7H-purin-2-one CAS Name: 1,3-dimethyl-8-(phenylmethylthio)-6-sulfanylidene-7H-purin-2-one IUPAC Name: 8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one Traditional Name: 8-(benzylthio)-1,3-dimethyl-6-thioxo-7H-purin-2-one Formula: C14H14N4OS2 MolecularWeight: 318.41716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4OS2/c1-17-11-10(12(20)18(2)14(17)19)15-13(16-11)21-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,16)