3-(2-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione

Systemtic Name: 3-(2-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione Openeye Name: 3-(2-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione CAS Name: 3-(2-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione IUPAC Name: 3-(2-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione Traditional Name: 3-(2-tert-butylphenyl)-1-(2-fluorobenzyl)-7H-purine-2,6-quinone Formula: C22H21FN4O2 MolecularWeight: 392.426143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4F)NC=N3

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4F)NC=N3

InChI

InChI=1S/C22H21FN4O2/c1-22(2,3)15-9-5-7-11-17(15)27-19-18(24-13-25-19)20(28)26(21(27)29)12-14-8-4-6-10-16(14)23/h4-11,13H,12H2,1-3H3,(H,24,25)