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

Systemtic Name: 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(1H-benzimidazol-2-ylthio)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(1H-benzimidazol-2-ylthio)-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C16H16N6O3S MolecularWeight: 372.40164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC4=CC=CC=C4N3)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC4=CC=CC=C4N3)CCOC

InChI

InChI=1S/C16H16N6O3S/c1-21-12-11(13(23)20-15(21)24)22(7-8-25-2)16(19-12)26-14-17-9-5-3-4-6-10(9)18-14/h3-6H,7-8H2,1-2H3,(H,17,18)(H,20,23,24)