3-(4-fluorophenyl)-1-(2-methylpropyl)-7-(1-phenylethyl)purine-2,6-dione

Systemtic Name: 3-(4-fluorophenyl)-1-(2-methylpropyl)-7-(1-phenylethyl)purine-2,6-dione Openeye Name: 3-(4-fluorophenyl)-1-isobutyl-7-(1-phenylethyl)purine-2,6-dione CAS Name: 3-(4-fluorophenyl)-1-(2-methylpropyl)-7-(1-phenylethyl)purine-2,6-dione IUPAC Name: 3-(4-fluorophenyl)-1-(2-methylpropyl)-7-(1-phenylethyl)purine-2,6-dione Traditional Name: 3-(4-fluorophenyl)-1-isobutyl-7-(1-phenylethyl)xanthine Formula: C23H23FN4O2 MolecularWeight: 406.452723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(N=CN2C(C)C3=CC=CC=C3)N(C1=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)CN1C(=O)C2=C(N=CN2C(C)C3=CC=CC=C3)N(C1=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN4O2/c1-15(2)13-26-22(29)20-21(28(23(26)30)19-11-9-18(24)10-12-19)25-14-27(20)16(3)17-7-5-4-6-8-17/h4-12,14-16H,13H2,1-3H3