1-(4-chlorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-7H-purin-6-one

Systemtic Name: 1-(4-chlorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-7H-purin-6-one Openeye Name: 1-(4-chlorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-7H-purin-6-one CAS Name: 1-(4-chlorophenyl)-2-[(3-fluorophenyl)methylthio]-7H-purin-6-one IUPAC Name: 1-(4-chlorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-7H-purin-6-one Traditional Name: 1-(4-chlorophenyl)-2-[(3-fluorobenzyl)thio]-7H-purin-6-one Formula: C18H12ClFN4OS MolecularWeight: 386.830483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Cl)NC=N3

Isomeric SMILES

C1=CC(=CC(=C1)F)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Cl)NC=N3

InChI

InChI=1S/C18H12ClFN4OS/c19-12-4-6-14(7-5-12)24-17(25)15-16(22-10-21-15)23-18(24)26-9-11-2-1-3-13(20)8-11/h1-8,10H,9H2,(H,21,22)