7-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]ethyl]-1,3-dimethyl-xanthine Formula: C19H22N6O3S MolecularWeight: 414.48138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC4=CC=CC=C4N3CCOC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC4=CC=CC=C4N3CCOC

InChI

InChI=1S/C19H22N6O3S/c1-22-16-15(17(26)23(2)19(22)27)24(12-20-16)9-11-29-18-21-13-6-4-5-7-14(13)25(18)8-10-28-3/h4-7,12H,8-11H2,1-3H3