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

Systemtic Name: 1,3-dimethyl-8-(phenylsulfanylmethyl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(phenylsulfanylmethyl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(phenylthio)methyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(phenylsulfanylmethyl)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(phenylthio)methyl]-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)CSC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CSC3=CC=CC=C3

InChI

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