3-butyl-1-[2-(4-fluoranylphenoxy)ethyl]-7-(furan-2-ylmethyl)purine-2,6-dione

Systemtic Name: 3-butyl-1-[2-(4-fluoranylphenoxy)ethyl]-7-(furan-2-ylmethyl)purine-2,6-dione Openeye Name: 3-butyl-1-[2-(4-fluorophenoxy)ethyl]-7-(2-furylmethyl)purine-2,6-dione CAS Name: 3-butyl-1-[2-(4-fluorophenoxy)ethyl]-7-(2-furanylmethyl)purine-2,6-dione IUPAC Name: 3-butyl-1-[2-(4-fluorophenoxy)ethyl]-7-(furan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-butyl-1-[2-(4-fluorophenoxy)ethyl]-7-(2-furfuryl)xanthine Formula: C22H23FN4O4 MolecularWeight: 426.440823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCOC3=CC=C(C=C3)F)N(C=N2)CC4=CC=CO4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCOC3=CC=C(C=C3)F)N(C=N2)CC4=CC=CO4

InChI

InChI=1S/C22H23FN4O4/c1-2-3-10-26-20-19(25(15-24-20)14-18-5-4-12-30-18)21(28)27(22(26)29)11-13-31-17-8-6-16(23)7-9-17/h4-9,12,15H,2-3,10-11,13-14H2,1H3