7-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-phenyl-purine-2,6-dione

Systemtic Name: 7-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-phenyl-purine-2,6-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-phenyl-purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-phenylpurine-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-phenylpurine-2,6-dione Traditional Name: 7-(2-fluorobenzyl)-1-(2-methoxyethyl)-3-phenyl-xanthine Formula: C21H19FN4O3 MolecularWeight: 394.398963

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3F)N(C1=O)C4=CC=CC=C4

Isomeric SMILES

COCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3F)N(C1=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19FN4O3/c1-29-12-11-25-20(27)18-19(26(21(25)28)16-8-3-2-4-9-16)23-14-24(18)13-15-7-5-6-10-17(15)22/h2-10,14H,11-13H2,1H3