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

Systemtic Name: 2-(3-chlorophenyl)-7-[(4-fluorophenyl)methyl]-3H-purin-6-one Openeye Name: 2-(3-chlorophenyl)-7-[(4-fluorophenyl)methyl]-3H-purin-6-one CAS Name: 2-(3-chlorophenyl)-7-[(4-fluorophenyl)methyl]-3H-purin-6-one IUPAC Name: 2-(3-chlorophenyl)-7-[(4-fluorophenyl)methyl]-3H-purin-6-one Traditional Name: 2-(3-chlorophenyl)-7-(4-fluorobenzyl)-3H-purin-6-one Formula: C18H12ClFN4O MolecularWeight: 354.765483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=C(C=C4)F

InChI

InChI=1S/C18H12ClFN4O/c19-13-3-1-2-12(8-13)16-22-17-15(18(25)23-16)24(10-21-17)9-11-4-6-14(20)7-5-11/h1-8,10H,9H2,(H,22,23,25)