3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]purine-2,6-dione CAS Name: 3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1-(2-fluorobenzyl)-3-(4-fluorophenyl)xanthine Formula: C21H16F2N4O2 MolecularWeight: 394.374146

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=C(C=C3)F)CC4=CC=CC=C4F

Isomeric SMILES

C=CCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=C(C=C3)F)CC4=CC=CC=C4F

InChI

InChI=1S/C21H16F2N4O2/c1-2-11-25-13-24-19-18(25)20(28)26(12-14-5-3-4-6-17(14)23)21(29)27(19)16-9-7-15(22)8-10-16/h2-10,13H,1,11-12H2