8-(1H-benzimidazol-2-ylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(1H-benzimidazol-2-ylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(1H-benzimidazol-2-ylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(1H-benzimidazol-2-ylthio)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(1H-benzimidazol-2-ylsulfanyl)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(1H-benzimidazol-2-ylthio)-1,3,7-trimethyl-xanthine Formula: C15H14N6O2S MolecularWeight: 342.37566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=NC4=CC=CC=C4N3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC3=NC4=CC=CC=C4N3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H14N6O2S/c1-19-10-11(20(2)15(23)21(3)12(10)22)18-14(19)24-13-16-8-6-4-5-7-9(8)17-13/h4-7H,1-3H3,(H,16,17)