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

Systemtic Name: 8-chloranyl-1,3-bis[(3-fluorophenyl)methyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-chloro-1,3-bis[(3-fluorophenyl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-bis[(3-fluorophenyl)methyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-chloro-1,3-bis[(3-fluorophenyl)methyl]purine-2,6-dione Traditional Name: 7-benzyl-8-chloro-1,3-bis(3-fluorobenzyl)xanthine Formula: C26H19ClF2N4O2 MolecularWeight: 492.904466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)CC4=CC(=CC=C4)F)CC5=CC(=CC=C5)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)CC4=CC(=CC=C4)F)CC5=CC(=CC=C5)F

InChI

InChI=1S/C26H19ClF2N4O2/c27-25-30-23-22(31(25)14-17-6-2-1-3-7-17)24(34)33(16-19-9-5-11-21(29)13-19)26(35)32(23)15-18-8-4-10-20(28)12-18/h1-13H,14-16H2