3-butyl-8-[5-(4-fluorophenyl)furan-2-yl]-7-(furan-2-ylmethyl)purine-2,6-dione

Systemtic Name: 3-butyl-8-[5-(4-fluorophenyl)furan-2-yl]-7-(furan-2-ylmethyl)purine-2,6-dione Openeye Name: 3-butyl-8-[5-(4-fluorophenyl)-2-furyl]-7-(2-furylmethyl)purine-2,6-dione CAS Name: 3-butyl-8-[5-(4-fluorophenyl)-2-furanyl]-7-(2-furanylmethyl)purine-2,6-dione IUPAC Name: 3-butyl-8-[5-(4-fluorophenyl)furan-2-yl]-7-(furan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-butyl-8-[5-(4-fluorophenyl)-2-furyl]-7-(2-furfuryl)xanthine Formula: C24H21FN4O4 MolecularWeight: 448.446343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC=C(C=C4)F)CC5=CC=CO5

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC=C(C=C4)F)CC5=CC=CO5

InChI

InChI=1S/C24H21FN4O4/c1-2-3-12-28-22-20(23(30)27-24(28)31)29(14-17-5-4-13-32-17)21(26-22)19-11-10-18(33-19)15-6-8-16(25)9-7-15/h4-11,13H,2-3,12,14H2,1H3,(H,27,30,31)