1,7-dimethyl-8-methylsulfanyl-3-phenyl-purine-2,6-dione

Systemtic Name: 1,7-dimethyl-8-methylsulfanyl-3-phenyl-purine-2,6-dione Openeye Name: 1,7-dimethyl-8-methylsulfanyl-3-phenyl-purine-2,6-dione CAS Name: 1,7-dimethyl-8-(methylthio)-3-phenylpurine-2,6-dione IUPAC Name: 1,7-dimethyl-8-methylsulfanyl-3-phenylpurine-2,6-dione Traditional Name: 1,7-dimethyl-8-(methylthio)-3-phenyl-xanthine Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC)N(C(=O)N(C2=O)C)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(N=C1SC)N(C(=O)N(C2=O)C)C3=CC=CC=C3

InChI

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