1-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-9-propyl-purin-6-one

Systemtic Name: 1-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-9-propyl-purin-6-one Openeye Name: 1-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-9-propyl-purin-6-one CAS Name: 1-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylthio]-9-propyl-6-purinone IUPAC Name: 1-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-9-propylpurin-6-one Traditional Name: 1-(4-chlorophenyl)-2-[(3,4-dichlorobenzyl)thio]-9-propyl-purin-6-one Formula: C21H17Cl3N4OS MolecularWeight: 479.80988

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCCN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H17Cl3N4OS/c1-2-9-27-12-25-18-19(27)26-21(30-11-13-3-8-16(23)17(24)10-13)28(20(18)29)15-6-4-14(22)5-7-15/h3-8,10,12H,2,9,11H2,1H3