2-[2,5-bis(fluoranyl)phenyl]-7-[(4-butoxyphenyl)methyl]-3H-purin-6-one

Systemtic Name: 2-[2,5-bis(fluoranyl)phenyl]-7-[(4-butoxyphenyl)methyl]-3H-purin-6-one Openeye Name: 7-[(4-butoxyphenyl)methyl]-2-(2,5-difluorophenyl)-3H-purin-6-one CAS Name: 7-[(4-butoxyphenyl)methyl]-2-(2,5-difluorophenyl)-3H-purin-6-one IUPAC Name: 7-[(4-butoxyphenyl)methyl]-2-(2,5-difluorophenyl)-3H-purin-6-one Traditional Name: 7-(4-butoxybenzyl)-2-(2,5-difluorophenyl)-3H-purin-6-one Formula: C22H20F2N4O2 MolecularWeight: 410.416606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=C(C=CC(=C4)F)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C22H20F2N4O2/c1-2-3-10-30-16-7-4-14(5-8-16)12-28-13-25-21-19(28)22(29)27-20(26-21)17-11-15(23)6-9-18(17)24/h4-9,11,13H,2-3,10,12H2,1H3,(H,26,27,29)