3-butyl-8-(2-fluorophenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione

Systemtic Name: 3-butyl-8-(2-fluorophenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione Openeye Name: 3-butyl-8-(2-fluorophenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 3-butyl-8-(2-fluorophenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione IUPAC Name: 3-butyl-8-(2-fluorophenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione Traditional Name: 3-butyl-8-(2-fluorophenyl)-7-o-anisyl-xanthine Formula: C23H23FN4O3 MolecularWeight: 422.452123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3F)CC4=CC=CC=C4OC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3F)CC4=CC=CC=C4OC

InChI

InChI=1S/C23H23FN4O3/c1-3-4-13-27-21-19(22(29)26-23(27)30)28(14-15-9-5-8-12-18(15)31-2)20(25-21)16-10-6-7-11-17(16)24/h5-12H,3-4,13-14H2,1-2H3,(H,26,29,30)