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

Systemtic Name: 4-[4,7-dimethyl-1,3-bis(oxidanylidene)-2-prop-2-enyl-purino[7,8-a]imidazol-6-yl]benzenesulfonamide Openeye Name: 4-(2-allyl-4,7-dimethyl-1,3-dioxo-purino[7,8-a]imidazol-6-yl)benzenesulfonamide CAS Name: 4-(4,7-dimethyl-1,3-dioxo-2-prop-2-enyl-6-purino[7,8-a]imidazolyl)benzenesulfonamide IUPAC Name: 4-(4,7-dimethyl-1,3-dioxo-2-prop-2-enylpurino[7,8-a]imidazol-6-yl)benzenesulfonamide Traditional Name: 4-(2-allyl-1,3-diketo-4,7-dimethyl-purin[7,8-a]imidazol-6-yl)benzenesulfonamide Formula: C18H18N6O4S MolecularWeight: 414.43832

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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)CC=C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O4S/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/h4-8,10H,1,9H2,2-3H3,(H2,19,27,28)