7-[(2-fluorophenyl)methyl]-3-(3-methylphenyl)-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-[(2-fluorophenyl)methyl]-3-(3-methylphenyl)-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-7-[(2-fluorophenyl)methyl]-3-(m-tolyl)purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-3-(3-methylphenyl)-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-7-[(2-fluorophenyl)methyl]-3-(3-methylphenyl)purine-2,6-dione Traditional Name: 1-benzyl-7-(2-fluorobenzyl)-3-(m-tolyl)xanthine Formula: C26H21FN4O2 MolecularWeight: 440.468943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)N(C=N3)CC5=CC=CC=C5F

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)N(C=N3)CC5=CC=CC=C5F

InChI

InChI=1S/C26H21FN4O2/c1-18-8-7-12-21(14-18)31-24-23(29(17-28-24)16-20-11-5-6-13-22(20)27)25(32)30(26(31)33)15-19-9-3-2-4-10-19/h2-14,17H,15-16H2,1H3