1,3,7-trimethyl-8-[1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)benzimidazol-2-yl]sulfanyl-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)benzimidazol-2-yl]sulfanyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[1-(2-morpholino-2-oxo-ethyl)benzimidazol-2-yl]sulfanyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[[1-[2-(4-morpholinyl)-2-oxoethyl]-2-benzimidazolyl]thio]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylpurine-2,6-dione Traditional Name: 8-[[1-(2-keto-2-morpholino-ethyl)benzimidazol-2-yl]thio]-1,3,7-trimethyl-xanthine Formula: C21H23N7O4S MolecularWeight: 469.51682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=NC4=CC=CC=C4N3CC(=O)N5CCOCC5)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC3=NC4=CC=CC=C4N3CC(=O)N5CCOCC5)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H23N7O4S/c1-24-16-17(25(2)21(31)26(3)18(16)30)23-19(24)33-20-22-13-6-4-5-7-14(13)28(20)12-15(29)27-8-10-32-11-9-27/h4-7H,8-12H2,1-3H3