7-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C21H25N7O5S MolecularWeight: 487.5321

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CN4C=NC5=C4C(=O)N(C(=O)N5C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CN4C=NC5=C4C(=O)N(C(=O)N5C)C

InChI

InChI=1S/C21H25N7O5S/c1-4-28-16-6-5-14(34(31,32)27-7-9-33-10-8-27)11-15(16)23-17(28)12-26-13-22-19-18(26)20(29)25(3)21(30)24(19)2/h5-6,11,13H,4,7-10,12H2,1-3H3