1-[(2-fluorophenyl)methyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[(2-fluorophenyl)methyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[(2-fluorophenyl)methyl]-7-isobutyl-purine-2,6-dione CAS Name: 1-[(2-fluorophenyl)methyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[(2-fluorophenyl)methyl]-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-benzyl-1-(2-fluorobenzyl)-7-isobutyl-xanthine Formula: C23H23FN4O2 MolecularWeight: 406.452723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4F

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4F

InChI

InChI=1S/C23H23FN4O2/c1-16(2)12-26-15-25-21-20(26)22(29)28(14-18-10-6-7-11-19(18)24)23(30)27(21)13-17-8-4-3-5-9-17/h3-11,15-16H,12-14H2,1-2H3