1,3,7-trimethyl-8-(1-methylbenzimidazol-2-yl)sulfanyl-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(1-methylbenzimidazol-2-yl)sulfanyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(1-methylbenzimidazol-2-yl)sulfanyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[(1-methyl-2-benzimidazolyl)thio]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(1-methylbenzimidazol-2-yl)sulfanylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[(1-methylbenzimidazol-2-yl)thio]xanthine Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C16H16N6O2S/c1-19-10-8-6-5-7-9(10)17-14(19)25-15-18-12-11(20(15)2)13(23)22(4)16(24)21(12)3/h5-8H,1-4H3