8-(4-ethanoylpiperazin-1-yl)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(4-ethanoylpiperazin-1-yl)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-acetylpiperazin-1-yl)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-acetyl-1-piperazinyl)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(4-acetylpiperazin-1-yl)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-acetylpiperazino)-7-(4-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C20H23FN6O3 MolecularWeight: 414.433423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H23FN6O3/c1-13(28)25-8-10-26(11-9-25)19-22-17-16(18(29)24(3)20(30)23(17)2)27(19)12-14-4-6-15(21)7-5-14/h4-7H,8-12H2,1-3H3