1,3,7-trimethyl-8-phenylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-phenylsulfanyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-phenylsulfanyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(phenylthio)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-phenylsulfanylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(phenylthio)xanthine Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

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