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

Systemtic Name: 4-[4,7-dimethyl-1,3-bis(oxidanylidene)-2-pentyl-purino[7,8-a]imidazol-6-yl]benzenesulfonamide Openeye Name: 4-(4,7-dimethyl-1,3-dioxo-2-pentyl-purino[7,8-a]imidazol-6-yl)benzenesulfonamide CAS Name: 4-(4,7-dimethyl-1,3-dioxo-2-pentyl-6-purino[7,8-a]imidazolyl)benzenesulfonamide IUPAC Name: 4-(4,7-dimethyl-1,3-dioxo-2-pentylpurino[7,8-a]imidazol-6-yl)benzenesulfonamide Traditional Name: 4-(2-amyl-1,3-diketo-4,7-dimethyl-purin[7,8-a]imidazol-6-yl)benzenesulfonamide Formula: C20H24N6O4S MolecularWeight: 444.50736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=C(C=C4)S(=O)(=O)N)C)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=C(C=C4)S(=O)(=O)N)C)N(C1=O)C

InChI

InChI=1S/C20H24N6O4S/c1-4-5-6-11-24-18(27)16-17(23(3)20(24)28)22-19-25(16)12-13(2)26(19)14-7-9-15(10-8-14)31(21,29)30/h7-10,12H,4-6,11H2,1-3H3,(H2,21,29,30)