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

Systemtic Name: 4-[4,7-dimethyl-1,3-bis(oxidanylidene)-2-phenethyl-purino[7,8-a]imidazol-6-yl]benzenesulfonamide Openeye Name: 4-(4,7-dimethyl-1,3-dioxo-2-phenethyl-purino[7,8-a]imidazol-6-yl)benzenesulfonamide CAS Name: 4-(4,7-dimethyl-1,3-dioxo-2-phenethyl-6-purino[7,8-a]imidazolyl)benzenesulfonamide IUPAC Name: 4-(4,7-dimethyl-1,3-dioxo-2-phenethylpurino[7,8-a]imidazol-6-yl)benzenesulfonamide Traditional Name: 4-(1,3-diketo-4,7-dimethyl-2-phenethyl-purin[7,8-a]imidazol-6-yl)benzenesulfonamide Formula: C23H22N6O4S MolecularWeight: 478.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)S(=O)(=O)N)N(C(=O)N(C3=O)CCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)S(=O)(=O)N)N(C(=O)N(C3=O)CCC5=CC=CC=C5)C

InChI

InChI=1S/C23H22N6O4S/c1-15-14-28-19-20(25-22(28)29(15)17-8-10-18(11-9-17)34(24,32)33)26(2)23(31)27(21(19)30)13-12-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H2,24,32,33)