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

Systemtic Name: 4-[2-but-2-enyl-4,7-dimethyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-6-yl]benzenesulfonamide Openeye Name: 4-(2-but-2-enyl-4,7-dimethyl-1,3-dioxo-purino[7,8-a]imidazol-6-yl)benzenesulfonamide CAS Name: 4-(2-but-2-enyl-4,7-dimethyl-1,3-dioxo-6-purino[7,8-a]imidazolyl)benzenesulfonamide IUPAC Name: 4-(2-but-2-enyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl)benzenesulfonamide Traditional Name: 4-(2-but-2-enyl-1,3-diketo-4,7-dimethyl-purin[7,8-a]imidazol-6-yl)benzenesulfonamide Formula: C19H20N6O4S MolecularWeight: 428.4649

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=C(C=C4)S(=O)(=O)N)C)N(C1=O)C

Isomeric SMILES

CC=CCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=C(C=C4)S(=O)(=O)N)C)N(C1=O)C

InChI

InChI=1S/C19H20N6O4S/c1-4-5-10-23-17(26)15-16(22(3)19(23)27)21-18-24(15)11-12(2)25(18)13-6-8-14(9-7-13)30(20,28)29/h4-9,11H,10H2,1-3H3,(H2,20,28,29)