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

Systemtic Name: 1,3-dimethyl-8-[(phenylmethylsulfanyl)methyl]-6-sulfanylidene-7H-purin-2-one Openeye Name: 8-(benzylsulfanylmethyl)-1,3-dimethyl-6-thioxo-7H-purin-2-one CAS Name: 1,3-dimethyl-8-[(phenylmethylthio)methyl]-6-sulfanylidene-7H-purin-2-one IUPAC Name: 8-(benzylsulfanylmethyl)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one Traditional Name: 8-[(benzylthio)methyl]-1,3-dimethyl-6-thioxo-7H-purin-2-one Formula: C15H16N4OS2 MolecularWeight: 332.44374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=S)N(C1=O)C)NC(=N2)CSCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=S)N(C1=O)C)NC(=N2)CSCC3=CC=CC=C3

InChI

InChI=1S/C15H16N4OS2/c1-18-13-12(14(21)19(2)15(18)20)16-11(17-13)9-22-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,16,17)