2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-1-(4-chlorophenyl)-9-methyl-purin-6-one

Systemtic Name: 2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-1-(4-chlorophenyl)-9-methyl-purin-6-one Openeye Name: 2-[(5-chlorobenzothiophen-3-yl)methylsulfanyl]-1-(4-chlorophenyl)-9-methyl-purin-6-one CAS Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylthio]-1-(4-chlorophenyl)-9-methyl-6-purinone IUPAC Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-1-(4-chlorophenyl)-9-methylpurin-6-one Traditional Name: 2-[(5-chlorobenzothiophen-3-yl)methylthio]-1-(4-chlorophenyl)-9-methyl-purin-6-one Formula: C21H14Cl2N4OS2 MolecularWeight: 473.39806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC4=CSC5=C4C=C(C=C5)Cl

Isomeric SMILES

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC4=CSC5=C4C=C(C=C5)Cl

InChI

InChI=1S/C21H14Cl2N4OS2/c1-26-11-24-18-19(26)25-21(27(20(18)28)15-5-2-13(22)3-6-15)30-10-12-9-29-17-7-4-14(23)8-16(12)17/h2-9,11H,10H2,1H3