3-butyl-7-cyclopentyl-1-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-cyclopentyl-1-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 3-butyl-7-cyclopentyl-1-[3-(4-fluorophenoxy)-2-hydroxy-propyl]purine-2,6-dione CAS Name: 3-butyl-7-cyclopentyl-1-[3-(4-fluorophenoxy)-2-hydroxypropyl]purine-2,6-dione IUPAC Name: 3-butyl-7-cyclopentyl-1-[3-(4-fluorophenoxy)-2-hydroxypropyl]purine-2,6-dione Traditional Name: 3-butyl-7-cyclopentyl-1-[3-(4-fluorophenoxy)-2-hydroxy-propyl]xanthine Formula: C23H29FN4O4 MolecularWeight: 444.499163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(COC3=CC=C(C=C3)F)O)N(C=N2)C4CCCC4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(COC3=CC=C(C=C3)F)O)N(C=N2)C4CCCC4

InChI

InChI=1S/C23H29FN4O4/c1-2-3-12-26-21-20(28(15-25-21)17-6-4-5-7-17)22(30)27(23(26)31)13-18(29)14-32-19-10-8-16(24)9-11-19/h8-11,15,17-18,29H,2-7,12-14H2,1H3