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

Systemtic Name: 7-cyclopentyl-1-[2-(2-fluoranylphenoxy)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-[2-(2-fluorophenoxy)ethyl]purine-2,6-dione CAS Name: 7-cyclopentyl-1-[2-(2-fluorophenoxy)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-[2-(2-fluorophenoxy)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-[2-(2-fluorophenoxy)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)CCOC5=CC=CC=C5F

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CCOC5=CC=CC=C5F

InChI

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