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

Systemtic Name: 7-(2-ethoxyethyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-8-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-8-[[4-(4-fluorophenyl)piperazino]methyl]-1,3-dimethyl-xanthine Formula: C22H29FN6O3 MolecularWeight: 444.502463

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H29FN6O3/c1-4-32-14-13-29-18(24-20-19(29)21(30)26(3)22(31)25(20)2)15-27-9-11-28(12-10-27)17-7-5-16(23)6-8-17/h5-8H,4,9-15H2,1-3H3