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

Systemtic Name: 1,3-dimethyl-8-(phenylmethylsulfanyl)-7H-purine-2,6-dione Openeye Name: 8-benzylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(phenylmethylthio)-7H-purine-2,6-dione IUPAC Name: 8-benzylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-(benzylthio)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O2S/c1-17-11-10(12(19)18(2)14(17)20)15-13(16-11)21-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,16)