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

Systemtic Name: 7-cyclopentyl-1-[2-(2-fluorophenyl)-2-oxidanyl-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-[2-(2-fluorophenyl)-2-hydroxy-ethyl]purine-2,6-dione CAS Name: 7-cyclopentyl-1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-[2-(2-fluorophenyl)-2-hydroxyethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-[2-(2-fluorophenyl)-2-hydroxy-ethyl]xanthine Formula: C25H25FN4O3 MolecularWeight: 448.489403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(C5=CC=CC=C5F)O

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(C5=CC=CC=C5F)O

InChI

InChI=1S/C25H25FN4O3/c26-20-13-7-6-12-19(20)21(31)15-29-24(32)22-23(27-16-30(22)18-10-4-5-11-18)28(25(29)33)14-17-8-2-1-3-9-17/h1-3,6-9,12-13,16,18,21,31H,4-5,10-11,14-15H2