1-(4-chlorophenyl)-9-cyclopropyl-2-[(3-fluorophenyl)methylsulfanyl]purin-6-one

Systemtic Name: 1-(4-chlorophenyl)-9-cyclopropyl-2-[(3-fluorophenyl)methylsulfanyl]purin-6-one Openeye Name: 1-(4-chlorophenyl)-9-cyclopropyl-2-[(3-fluorophenyl)methylsulfanyl]purin-6-one CAS Name: 1-(4-chlorophenyl)-9-cyclopropyl-2-[(3-fluorophenyl)methylthio]-6-purinone IUPAC Name: 1-(4-chlorophenyl)-9-cyclopropyl-2-[(3-fluorophenyl)methylsulfanyl]purin-6-one Traditional Name: 1-(4-chlorophenyl)-9-cyclopropyl-2-[(3-fluorobenzyl)thio]purin-6-one Formula: C21H16ClFN4OS MolecularWeight: 426.894343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NC3=C2N=C(N(C3=O)C4=CC=C(C=C4)Cl)SCC5=CC(=CC=C5)F

Isomeric SMILES

C1CC1N2C=NC3=C2N=C(N(C3=O)C4=CC=C(C=C4)Cl)SCC5=CC(=CC=C5)F

InChI

InChI=1S/C21H16ClFN4OS/c22-14-4-6-17(7-5-14)27-20(28)18-19(26(12-24-18)16-8-9-16)25-21(27)29-11-13-2-1-3-15(23)10-13/h1-7,10,12,16H,8-9,11H2