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

Systemtic Name: 1,3-dimethyl-7-[(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(6-morpholinosulfonyl-1H-benzimidazol-2-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[6-(4-morpholinylsulfonyl)-1H-benzimidazol-2-yl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(6-morpholinosulfonyl-1H-benzimidazol-2-yl)methyl]xanthine Formula: C19H21N7O5S MolecularWeight: 459.47894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C19H21N7O5S/c1-23-17-16(18(27)24(2)19(23)28)25(11-20-17)10-15-21-13-4-3-12(9-14(13)22-15)32(29,30)26-5-7-31-8-6-26/h3-4,9,11H,5-8,10H2,1-2H3,(H,21,22)