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

Systemtic Name: 2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-9-methyl-1-[4-(trifluoromethyl)phenyl]purin-6-one Openeye Name: 2-[(5-chlorobenzothiophen-3-yl)methylsulfanyl]-9-methyl-1-[4-(trifluoromethyl)phenyl]purin-6-one CAS Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylthio]-9-methyl-1-[4-(trifluoromethyl)phenyl]-6-purinone IUPAC Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-9-methyl-1-[4-(trifluoromethyl)phenyl]purin-6-one Traditional Name: 2-[(5-chlorobenzothiophen-3-yl)methylthio]-9-methyl-1-[4-(trifluoromethyl)phenyl]purin-6-one Formula: C22H14ClF3N4OS2 MolecularWeight: 506.95097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14ClF3N4OS2/c1-29-11-27-18-19(29)28-21(33-10-12-9-32-17-7-4-14(23)8-16(12)17)30(20(18)31)15-5-2-13(3-6-15)22(24,25)26/h2-9,11H,10H2,1H3