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

Systemtic Name: 4-[2,4,8-trimethyl-1,3-bis(oxidanylidene)-7-phenyl-purino[7,8-a]imidazol-6-yl]benzenesulfonamide Openeye Name: 4-(2,4,8-trimethyl-1,3-dioxo-7-phenyl-purino[7,8-a]imidazol-6-yl)benzenesulfonamide CAS Name: 4-(2,4,8-trimethyl-1,3-dioxo-7-phenyl-6-purino[7,8-a]imidazolyl)benzenesulfonamide IUPAC Name: 4-(2,4,8-trimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)benzenesulfonamide Traditional Name: 4-(1,3-diketo-2,4,8-trimethyl-7-phenyl-purin[7,8-a]imidazol-6-yl)benzenesulfonamide Formula: C22H20N6O4S MolecularWeight: 464.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)S(=O)(=O)N)C5=CC=CC=C5

Isomeric SMILES

CC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)S(=O)(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C22H20N6O4S/c1-13-17(14-7-5-4-6-8-14)28(15-9-11-16(12-10-15)33(23,31)32)21-24-19-18(27(13)21)20(29)26(3)22(30)25(19)2/h4-12H,1-3H3,(H2,23,31,32)