2-[(6-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-1-(4-chlorophenyl)-9-propan-2-yl-purin-6-one

Systemtic Name: 2-[(6-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-1-(4-chlorophenyl)-9-propan-2-yl-purin-6-one Openeye Name: 2-[(6-chlorobenzothiophen-3-yl)methylsulfanyl]-1-(4-chlorophenyl)-9-isopropyl-purin-6-one CAS Name: 2-[(6-chloro-1-benzothiophen-3-yl)methylthio]-1-(4-chlorophenyl)-9-propan-2-yl-6-purinone IUPAC Name: 2-[(6-chloro-1-benzothiophen-3-yl)methylsulfanyl]-1-(4-chlorophenyl)-9-propan-2-ylpurin-6-one Traditional Name: 2-[(6-chlorobenzothiophen-3-yl)methylthio]-1-(4-chlorophenyl)-9-isopropyl-purin-6-one Formula: C23H18Cl2N4OS2 MolecularWeight: 501.45122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC4=CSC5=C4C=CC(=C5)Cl

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC4=CSC5=C4C=CC(=C5)Cl

InChI

InChI=1S/C23H18Cl2N4OS2/c1-13(2)28-12-26-20-21(28)27-23(29(22(20)30)17-6-3-15(24)4-7-17)32-11-14-10-31-19-9-16(25)5-8-18(14)19/h3-10,12-13H,11H2,1-2H3