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

Systemtic Name: 7-cyclopentyl-1-[(2-fluorophenyl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-[(2-fluorophenyl)methyl]purine-2,6-dione CAS Name: 7-cyclopentyl-1-[(2-fluorophenyl)methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-[(2-fluorophenyl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-(2-fluorobenzyl)xanthine Formula: C24H23FN4O2 MolecularWeight: 418.463423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5F

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5F

InChI

InChI=1S/C24H23FN4O2/c25-20-13-7-4-10-18(20)15-28-23(30)21-22(26-16-29(21)19-11-5-6-12-19)27(24(28)31)14-17-8-2-1-3-9-17/h1-4,7-10,13,16,19H,5-6,11-12,14-15H2