4-[2,4-dimethyl-1,3-bis(oxidanylidene)-7-thiophen-2-yl-purino[7,8-a]imidazol-6-yl]benzenesulfonamide

Systemtic Name: 4-[2,4-dimethyl-1,3-bis(oxidanylidene)-7-thiophen-2-yl-purino[7,8-a]imidazol-6-yl]benzenesulfonamide Openeye Name: 4-[2,4-dimethyl-1,3-dioxo-7-(2-thienyl)purino[7,8-a]imidazol-6-yl]benzenesulfonamide CAS Name: 4-(2,4-dimethyl-1,3-dioxo-7-thiophen-2-yl-6-purino[7,8-a]imidazolyl)benzenesulfonamide IUPAC Name: 4-(2,4-dimethyl-1,3-dioxo-7-thiophen-2-ylpurino[7,8-a]imidazol-6-yl)benzenesulfonamide Traditional Name: 4-[1,3-diketo-2,4-dimethyl-7-(2-thienyl)purin[7,8-a]imidazol-6-yl]benzenesulfonamide Formula: C19H16N6O4S2 MolecularWeight: 456.49814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N)C5=CC=CS5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N)C5=CC=CS5

InChI

InChI=1S/C19H16N6O4S2/c1-22-16-15(17(26)23(2)19(22)27)24-10-13(14-4-3-9-30-14)25(18(24)21-16)11-5-7-12(8-6-11)31(20,28)29/h3-10H,1-2H3,(H2,20,28,29)