N-[3-[4-[[2-(dimethylamino)-6-methyl-8-propyl-purin-9-yl]methyl]phenyl]-2-benzothiophen-1-yl]-1-oxidanylidene-1-phenyl-methanesulfonamide

Systemtic Name: N-[3-[4-[[2-(dimethylamino)-6-methyl-8-propyl-purin-9-yl]methyl]phenyl]-2-benzothiophen-1-yl]-1-oxidanylidene-1-phenyl-methanesulfonamide Openeye Name: N-[3-[4-[[2-(dimethylamino)-6-methyl-8-propyl-purin-9-yl]methyl]phenyl]-2-benzothiophen-1-yl]-1-oxo-1-phenyl-methanesulfonamide CAS Name: N-[3-[4-[[2-(dimethylamino)-6-methyl-8-propyl-9-purinyl]methyl]phenyl]-2-benzothiophen-1-yl]-1-oxo-1-phenylmethanesulfonamide IUPAC Name: N-[3-[4-[[2-(dimethylamino)-6-methyl-8-propylpurin-9-yl]methyl]phenyl]-2-benzothiophen-1-yl]-1-oxo-1-phenylmethanesulfonamide Traditional Name: N-[3-[4-[[2-(dimethylamino)-6-methyl-8-propyl-purin-9-yl]methyl]phenyl]isobenzothiophen-1-yl]-1-keto-1-phenyl-methanesulfonamide Formula: C33H32N6O3S2 MolecularWeight: 624.77558

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N=C(N=C2N1CC3=CC=C(C=C3)C4=C5C=CC=CC5=C(S4)NS(=O)(=O)C(=O)C6=CC=CC=C6)N(C)C)C

Isomeric SMILES

CCCC1=NC2=C(N=C(N=C2N1CC3=CC=C(C=C3)C4=C5C=CC=CC5=C(S4)NS(=O)(=O)C(=O)C6=CC=CC=C6)N(C)C)C

InChI

InChI=1S/C33H32N6O3S2/c1-5-11-27-35-28-21(2)34-33(38(3)4)36-30(28)39(27)20-22-16-18-23(19-17-22)29-25-14-9-10-15-26(25)31(43-29)37-44(41,42)32(40)24-12-7-6-8-13-24/h6-10,12-19,37H,5,11,20H2,1-4H3