N-[2-[4-[(2-chloranyl-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-chloranyl-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-chloro-6-methyl-8-propyl-purin-9-yl)methyl]phenyl]-3H-benzothiophen-2-yl]-1-oxo-1-phenyl-methanesulfonamide CAS Name: N-[2-[4-[(2-chloro-6-methyl-8-propyl-9-purinyl)methyl]phenyl]-3H-1-benzothiophen-2-yl]-1-oxo-1-phenylmethanesulfonamide IUPAC Name: N-[2-[4-[(2-chloro-6-methyl-8-propylpurin-9-yl)methyl]phenyl]-3H-1-benzothiophen-2-yl]-1-oxo-1-phenylmethanesulfonamide Traditional Name: N-[2-[4-[(2-chloro-6-methyl-8-propyl-purin-9-yl)methyl]phenyl]-3H-benzothiophen-2-yl]-1-keto-1-phenyl-methanesulfonamide Formula: C31H28ClN5O3S2 MolecularWeight: 618.16872

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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)Cl)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)Cl)C

InChI

InChI=1S/C31H28ClN5O3S2/c1-3-9-26-34-27-20(2)33-30(32)35-28(27)37(26)19-21-14-16-24(17-15-21)31(18-23-12-7-8-13-25(23)41-31)36-42(39,40)29(38)22-10-5-4-6-11-22/h4-8,10-17,36H,3,9,18-19H2,1-2H3