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

Systemtic Name: 3-(3-fluorophenyl)-1-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione Openeye Name: 3-(3-fluorophenyl)-1-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 3-(3-fluorophenyl)-1-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione IUPAC Name: 3-(3-fluorophenyl)-1-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione Traditional Name: 3-(3-fluorophenyl)-1-(2-methoxyethyl)-7-p-anisyl-xanthine Formula: C22H21FN4O4 MolecularWeight: 424.424943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN4O4/c1-30-11-10-26-21(28)19-20(27(22(26)29)17-5-3-4-16(23)12-17)24-14-25(19)13-15-6-8-18(31-2)9-7-15/h3-9,12,14H,10-11,13H2,1-2H3