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

Systemtic Name: 4-[2-heptyl-4,7-dimethyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-6-yl]benzenesulfonamide Openeye Name: 4-(2-heptyl-4,7-dimethyl-1,3-dioxo-purino[7,8-a]imidazol-6-yl)benzenesulfonamide CAS Name: 4-(2-heptyl-4,7-dimethyl-1,3-dioxo-6-purino[7,8-a]imidazolyl)benzenesulfonamide IUPAC Name: 4-(2-heptyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl)benzenesulfonamide Traditional Name: 4-(2-heptyl-1,3-diketo-4,7-dimethyl-purin[7,8-a]imidazol-6-yl)benzenesulfonamide Formula: C22H28N6O4S MolecularWeight: 472.56052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=C(C=C4)S(=O)(=O)N)C)N(C1=O)C

Isomeric SMILES

CCCCCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=C(C=C4)S(=O)(=O)N)C)N(C1=O)C

InChI

InChI=1S/C22H28N6O4S/c1-4-5-6-7-8-13-26-20(29)18-19(25(3)22(26)30)24-21-27(18)14-15(2)28(21)16-9-11-17(12-10-16)33(23,31)32/h9-12,14H,4-8,13H2,1-3H3,(H2,23,31,32)