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

Systemtic Name: N-[2-[4-[[2-(dimethylamino)-6-methyl-8-propyl-purin-9-yl]methyl]phenyl]-3H-1-benzothiophen-2-yl]-1-oxidanylidene-1-phenyl-methanesulfonamide Openeye Name: N-[2-[4-[[2-(dimethylamino)-6-methyl-8-propyl-purin-9-yl]methyl]phenyl]-3H-benzothiophen-2-yl]-1-oxo-1-phenyl-methanesulfonamide CAS Name: N-[2-[4-[[2-(dimethylamino)-6-methyl-8-propyl-9-purinyl]methyl]phenyl]-3H-1-benzothiophen-2-yl]-1-oxo-1-phenylmethanesulfonamide IUPAC Name: N-[2-[4-[[2-(dimethylamino)-6-methyl-8-propylpurin-9-yl]methyl]phenyl]-3H-1-benzothiophen-2-yl]-1-oxo-1-phenylmethanesulfonamide Traditional Name: N-[2-[4-[[2-(dimethylamino)-6-methyl-8-propyl-purin-9-yl]methyl]phenyl]-3H-benzothiophen-2-yl]-1-keto-1-phenyl-methanesulfonamide Formula: C33H34N6O3S2 MolecularWeight: 626.79146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N=C(N=C2N1CC3=CC=C(C=C3)C4(CC5=CC=CC=C5S4)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(CC5=CC=CC=C5S4)NS(=O)(=O)C(=O)C6=CC=CC=C6)N(C)C)C

InChI

InChI=1S/C33H34N6O3S2/c1-5-11-28-35-29-22(2)34-32(38(3)4)36-30(29)39(28)21-23-16-18-26(19-17-23)33(20-25-14-9-10-15-27(25)43-33)37-44(41,42)31(40)24-12-7-6-8-13-24/h6-10,12-19,37H,5,11,20-21H2,1-4H3