1,3-dimethyl-8-(4-methylsulfanylphenyl)-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-methylsulfanylphenyl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-methylsulfanylphenyl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-(methylthio)phenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-methylsulfanylphenyl)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[4-(methylthio)phenyl]-7H-purine-2,6-quinone Formula: C14H14N4O2S MolecularWeight: 302.35156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O2S/c1-17-12-10(13(19)18(2)14(17)20)15-11(16-12)8-4-6-9(21-3)7-5-8/h4-7H,1-3H3,(H,15,16)