1-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)-7H-purine-2,6-dione

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)-7H-purine-2,6-dione Openeye Name: 1-[(4-fluorophenyl)methyl]-3-(4-isopropylphenyl)-7H-purine-2,6-dione CAS Name: 1-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)-7H-purine-2,6-dione IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)-7H-purine-2,6-dione Traditional Name: 1-(4-fluorobenzyl)-3-p-cumenyl-7H-purine-2,6-quinone Formula: C21H19FN4O2 MolecularWeight: 378.399563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=C(C=C4)F)NC=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=C(C=C4)F)NC=N3

InChI

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