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

Systemtic Name: 4-[4,7-dimethyl-2-octyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-6-yl]benzenesulfonamide Openeye Name: 4-(4,7-dimethyl-2-octyl-1,3-dioxo-purino[7,8-a]imidazol-6-yl)benzenesulfonamide CAS Name: 4-(4,7-dimethyl-2-octyl-1,3-dioxo-6-purino[7,8-a]imidazolyl)benzenesulfonamide IUPAC Name: 4-(4,7-dimethyl-2-octyl-1,3-dioxopurino[7,8-a]imidazol-6-yl)benzenesulfonamide Traditional Name: 4-(1,3-diketo-4,7-dimethyl-2-octyl-purin[7,8-a]imidazol-6-yl)benzenesulfonamide Formula: C23H30N6O4S MolecularWeight: 486.5871

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=C(C=C4)S(=O)(=O)N)C)N(C1=O)C

Isomeric SMILES

CCCCCCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=C(C=C4)S(=O)(=O)N)C)N(C1=O)C

InChI

InChI=1S/C23H30N6O4S/c1-4-5-6-7-8-9-14-27-21(30)19-20(26(3)23(27)31)25-22-28(19)15-16(2)29(22)17-10-12-18(13-11-17)34(24,32)33/h10-13,15H,4-9,14H2,1-3H3,(H2,24,32,33)