7-ethyl-3-(4-fluorophenyl)-1-phenethyl-purine-2,6-dione

Systemtic Name: 7-ethyl-3-(4-fluorophenyl)-1-phenethyl-purine-2,6-dione Openeye Name: 7-ethyl-3-(4-fluorophenyl)-1-phenethyl-purine-2,6-dione CAS Name: 7-ethyl-3-(4-fluorophenyl)-1-phenethylpurine-2,6-dione IUPAC Name: 7-ethyl-3-(4-fluorophenyl)-1-phenethylpurine-2,6-dione Traditional Name: 7-ethyl-3-(4-fluorophenyl)-1-phenethyl-xanthine Formula: C21H19FN4O2 MolecularWeight: 378.399563

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=C(C=C3)F)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=C(C=C3)F)CCC4=CC=CC=C4

InChI

InChI=1S/C21H19FN4O2/c1-2-24-14-23-19-18(24)20(27)25(13-12-15-6-4-3-5-7-15)21(28)26(19)17-10-8-16(22)9-11-17/h3-11,14H,2,12-13H2,1H3