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

Systemtic Name: N-[3-[4-[(2-chloranyl-6-methyl-8-propyl-purin-9-yl)methyl]phenyl]-2-benzothiophen-1-yl]-1-oxidanylidene-1-phenyl-methanesulfonamide Openeye Name: N-[3-[4-[(2-chloro-6-methyl-8-propyl-purin-9-yl)methyl]phenyl]-2-benzothiophen-1-yl]-1-oxo-1-phenyl-methanesulfonamide CAS Name: N-[3-[4-[(2-chloro-6-methyl-8-propyl-9-purinyl)methyl]phenyl]-2-benzothiophen-1-yl]-1-oxo-1-phenylmethanesulfonamide IUPAC Name: N-[3-[4-[(2-chloro-6-methyl-8-propylpurin-9-yl)methyl]phenyl]-2-benzothiophen-1-yl]-1-oxo-1-phenylmethanesulfonamide Traditional Name: N-[3-[4-[(2-chloro-6-methyl-8-propyl-purin-9-yl)methyl]phenyl]isobenzothiophen-1-yl]-1-keto-1-phenyl-methanesulfonamide Formula: C31H26ClN5O3S2 MolecularWeight: 616.15284

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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)Cl)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)Cl)C

InChI

InChI=1S/C31H26ClN5O3S2/c1-3-9-25-34-26-19(2)33-31(32)35-28(26)37(25)18-20-14-16-21(17-15-20)27-23-12-7-8-13-24(23)29(41-27)36-42(39,40)30(38)22-10-5-4-6-11-22/h4-8,10-17,36H,3,9,18H2,1-2H3