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

Systemtic Name: 4-[2-hexyl-4,7-dimethyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-6-yl]benzenesulfonamide Openeye Name: 4-(2-hexyl-4,7-dimethyl-1,3-dioxo-purino[7,8-a]imidazol-6-yl)benzenesulfonamide CAS Name: 4-(2-hexyl-4,7-dimethyl-1,3-dioxo-6-purino[7,8-a]imidazolyl)benzenesulfonamide IUPAC Name: 4-(2-hexyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl)benzenesulfonamide Traditional Name: 4-(2-hexyl-1,3-diketo-4,7-dimethyl-purin[7,8-a]imidazol-6-yl)benzenesulfonamide Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=C(C=C4)S(=O)(=O)N)C)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=C(C=C4)S(=O)(=O)N)C)N(C1=O)C

InChI

InChI=1S/C21H26N6O4S/c1-4-5-6-7-12-25-19(28)17-18(24(3)21(25)29)23-20-26(17)13-14(2)27(20)15-8-10-16(11-9-15)32(22,30)31/h8-11,13H,4-7,12H2,1-3H3,(H2,22,30,31)