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

Systemtic Name: 2-[2,5-bis(fluoranyl)phenyl]-7-[(2-hexoxyphenyl)methyl]-3H-purin-6-one Openeye Name: 2-(2,5-difluorophenyl)-7-[(2-hexoxyphenyl)methyl]-3H-purin-6-one CAS Name: 2-(2,5-difluorophenyl)-7-[(2-hexoxyphenyl)methyl]-3H-purin-6-one IUPAC Name: 2-(2,5-difluorophenyl)-7-[(2-hexoxyphenyl)methyl]-3H-purin-6-one Traditional Name: 2-(2,5-difluorophenyl)-7-(2-hexoxybenzyl)-3H-purin-6-one Formula: C24H24F2N4O2 MolecularWeight: 438.469766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1CN2C=NC3=C2C(=O)N=C(N3)C4=C(C=CC(=C4)F)F

Isomeric SMILES

CCCCCCOC1=CC=CC=C1CN2C=NC3=C2C(=O)N=C(N3)C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C24H24F2N4O2/c1-2-3-4-7-12-32-20-9-6-5-8-16(20)14-30-15-27-23-21(30)24(31)29-22(28-23)18-13-17(25)10-11-19(18)26/h5-6,8-11,13,15H,2-4,7,12,14H2,1H3,(H,28,29,31)