3-[2-(4-fluorophenyl)ethyl]-1-pentyl-8-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-[2-(4-fluorophenyl)ethyl]-1-pentyl-8-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 8-benzyl-3-[2-(4-fluorophenyl)ethyl]-1-pentyl-7H-purine-2,6-dione CAS Name: 3-[2-(4-fluorophenyl)ethyl]-1-pentyl-8-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 8-benzyl-3-[2-(4-fluorophenyl)ethyl]-1-pentyl-7H-purine-2,6-dione Traditional Name: 1-amyl-8-benzyl-3-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-quinone Formula: C25H27FN4O2 MolecularWeight: 434.505883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC=C(C=C4)F

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H27FN4O2/c1-2-3-7-15-30-24(31)22-23(28-21(27-22)17-19-8-5-4-6-9-19)29(25(30)32)16-14-18-10-12-20(26)13-11-18/h4-6,8-13H,2-3,7,14-17H2,1H3,(H,27,28)