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

Systemtic Name: 4-[8-butyl-2,4-dimethyl-1,3-bis(oxidanylidene)-7-phenyl-purino[7,8-a]imidazol-6-yl]benzenesulfonamide Openeye Name: 4-(8-butyl-2,4-dimethyl-1,3-dioxo-7-phenyl-purino[7,8-a]imidazol-6-yl)benzenesulfonamide CAS Name: 4-(8-butyl-2,4-dimethyl-1,3-dioxo-7-phenyl-6-purino[7,8-a]imidazolyl)benzenesulfonamide IUPAC Name: 4-(8-butyl-2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)benzenesulfonamide Traditional Name: 4-(8-butyl-1,3-diketo-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazol-6-yl)benzenesulfonamide Formula: C25H26N6O4S MolecularWeight: 506.57674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/C25H26N6O4S/c1-4-5-11-19-20(16-9-7-6-8-10-16)30(17-12-14-18(15-13-17)36(26,34)35)24-27-22-21(31(19)24)23(32)29(3)25(33)28(22)2/h6-10,12-15H,4-5,11H2,1-3H3,(H2,26,34,35)