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

Systemtic Name: 2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-1-(4-chlorophenyl)-9-(cyclopropylmethyl)purin-6-one Openeye Name: 2-[(5-chlorobenzothiophen-3-yl)methylsulfanyl]-1-(4-chlorophenyl)-9-(cyclopropylmethyl)purin-6-one CAS Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylthio]-1-(4-chlorophenyl)-9-(cyclopropylmethyl)-6-purinone IUPAC Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-1-(4-chlorophenyl)-9-(cyclopropylmethyl)purin-6-one Traditional Name: 2-[(5-chlorobenzothiophen-3-yl)methylthio]-1-(4-chlorophenyl)-9-(cyclopropylmethyl)purin-6-one Formula: C24H18Cl2N4OS2 MolecularWeight: 513.46192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C=NC3=C2N=C(N(C3=O)C4=CC=C(C=C4)Cl)SCC5=CSC6=C5C=C(C=C6)Cl

Isomeric SMILES

C1CC1CN2C=NC3=C2N=C(N(C3=O)C4=CC=C(C=C4)Cl)SCC5=CSC6=C5C=C(C=C6)Cl

InChI

InChI=1S/C24H18Cl2N4OS2/c25-16-3-6-18(7-4-16)30-23(31)21-22(29(13-27-21)10-14-1-2-14)28-24(30)33-12-15-11-32-20-8-5-17(26)9-19(15)20/h3-9,11,13-14H,1-2,10,12H2