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

Systemtic Name: 4-[4,7-dimethyl-1,3-bis(oxidanylidene)-2-propyl-purino[7,8-a]imidazol-6-yl]benzenesulfonamide Openeye Name: 4-(4,7-dimethyl-1,3-dioxo-2-propyl-purino[7,8-a]imidazol-6-yl)benzenesulfonamide CAS Name: 4-(4,7-dimethyl-1,3-dioxo-2-propyl-6-purino[7,8-a]imidazolyl)benzenesulfonamide IUPAC Name: 4-(4,7-dimethyl-1,3-dioxo-2-propylpurino[7,8-a]imidazol-6-yl)benzenesulfonamide Traditional Name: 4-(1,3-diketo-4,7-dimethyl-2-propyl-purin[7,8-a]imidazol-6-yl)benzenesulfonamide Formula: C18H20N6O4S MolecularWeight: 416.4542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=C(C=C4)S(=O)(=O)N)C)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=C(C=C4)S(=O)(=O)N)C)N(C1=O)C

InChI

InChI=1S/C18H20N6O4S/c1-4-9-22-16(25)14-15(21(3)18(22)26)20-17-23(14)10-11(2)24(17)12-5-7-13(8-6-12)29(19,27)28/h5-8,10H,4,9H2,1-3H3,(H2,19,27,28)