7-butyl-8-[[2-(4-fluorophenyl)ethylamino]methyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-8-[[2-(4-fluorophenyl)ethylamino]methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-[[2-(4-fluorophenyl)ethylamino]methyl]purine-2,6-dione CAS Name: 7-butyl-8-[[2-(4-fluorophenyl)ethylamino]methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-[[2-(4-fluorophenyl)ethylamino]methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-[[2-(4-fluorophenyl)ethylamino]methyl]xanthine Formula: C25H28FN5O2 MolecularWeight: 449.520523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CNCCC4=CC=C(C=C4)F

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CNCCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H28FN5O2/c1-2-3-15-30-21(16-27-14-13-18-9-11-20(26)12-10-18)28-23-22(30)24(32)29-25(33)31(23)17-19-7-5-4-6-8-19/h4-12,27H,2-3,13-17H2,1H3,(H,29,32,33)