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

Systemtic Name: 2-(3-aminophenyl)-7-[(4-fluorophenyl)methyl]-3H-purin-6-one Openeye Name: 2-(3-aminophenyl)-7-[(4-fluorophenyl)methyl]-3H-purin-6-one CAS Name: 2-(3-aminophenyl)-7-[(4-fluorophenyl)methyl]-3H-purin-6-one IUPAC Name: 2-(3-aminophenyl)-7-[(4-fluorophenyl)methyl]-3H-purin-6-one Traditional Name: 2-(3-aminophenyl)-7-(4-fluorobenzyl)-3H-purin-6-one Formula: C18H14FN5O MolecularWeight: 335.335063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14FN5O/c19-13-6-4-11(5-7-13)9-24-10-21-17-15(24)18(25)23-16(22-17)12-2-1-3-14(20)8-12/h1-8,10H,9,20H2,(H,22,23,25)