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

Systemtic Name: 7-ethyl-1-[2-(2-fluoranylphenoxy)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[2-(2-fluorophenoxy)ethyl]purine-2,6-dione CAS Name: 7-ethyl-1-[2-(2-fluorophenoxy)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[2-(2-fluorophenoxy)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[2-(2-fluorophenoxy)ethyl]xanthine Formula: C22H21FN4O3 MolecularWeight: 408.425543

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=CC=C4F

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=CC=C4F

InChI

InChI=1S/C22H21FN4O3/c1-2-25-15-24-20-19(25)21(28)26(12-13-30-18-11-7-6-10-17(18)23)22(29)27(20)14-16-8-4-3-5-9-16/h3-11,15H,2,12-14H2,1H3