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

Systemtic Name: 1,3-bis[(3-fluorophenyl)methyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-bis[(3-fluorophenyl)methyl]purine-2,6-dione CAS Name: 1,3-bis[(3-fluorophenyl)methyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-bis[(3-fluorophenyl)methyl]purine-2,6-dione Traditional Name: 7-benzyl-1,3-bis(3-fluorobenzyl)xanthine Formula: C26H20F2N4O2 MolecularWeight: 458.459406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC(=CC=C4)F)CC5=CC(=CC=C5)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC(=CC=C4)F)CC5=CC(=CC=C5)F

InChI

InChI=1S/C26H20F2N4O2/c27-21-10-4-8-19(12-21)15-31-24-23(30(17-29-24)14-18-6-2-1-3-7-18)25(33)32(26(31)34)16-20-9-5-11-22(28)13-20/h1-13,17H,14-16H2