7-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-naphthalen-1-yl-purine-2,6-dione

Systemtic Name: 7-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-naphthalen-1-yl-purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-(1-naphthyl)purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-(1-naphthalenyl)purine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-naphthalen-1-ylpurine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-1-(2-methoxyethyl)-3-(1-naphthyl)xanthine Formula: C25H21FN4O3 MolecularWeight: 444.457643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)F)N(C1=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

COCCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)F)N(C1=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H21FN4O3/c1-33-14-13-29-24(31)22-23(27-16-28(22)15-17-9-11-19(26)12-10-17)30(25(29)32)21-8-4-6-18-5-2-3-7-20(18)21/h2-12,16H,13-15H2,1H3