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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-[(2-chloro-6-fluoro-phenyl)methyl]purine-2,6-dione CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-[(2-chloro-6-fluorophenyl)methyl]purine-2,6-dione Traditional Name: 3,7-dibenzyl-1-(2-chloro-6-fluoro-benzyl)xanthine Formula: C26H20ClFN4O2 MolecularWeight: 474.914003

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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)CC5=C(C=CC=C5Cl)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C26H20ClFN4O2/c27-21-12-7-13-22(28)20(21)16-32-25(33)23-24(29-17-30(23)14-18-8-3-1-4-9-18)31(26(32)34)15-19-10-5-2-6-11-19/h1-13,17H,14-16H2