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

Systemtic Name: 2-[2,5-bis(fluoranyl)phenyl]-7-[(2-methoxypyridin-3-yl)methyl]-3H-purin-6-one Openeye Name: 2-(2,5-difluorophenyl)-7-[(2-methoxy-3-pyridyl)methyl]-3H-purin-6-one CAS Name: 2-(2,5-difluorophenyl)-7-[(2-methoxy-3-pyridinyl)methyl]-3H-purin-6-one IUPAC Name: 2-(2,5-difluorophenyl)-7-[(2-methoxypyridin-3-yl)methyl]-3H-purin-6-one Traditional Name: 2-(2,5-difluorophenyl)-7-[(2-methoxy-3-pyridyl)methyl]-3H-purin-6-one Formula: C18H13F2N5O2 MolecularWeight: 369.324926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)CN2C=NC3=C2C(=O)N=C(N3)C4=C(C=CC(=C4)F)F

Isomeric SMILES

COC1=C(C=CC=N1)CN2C=NC3=C2C(=O)N=C(N3)C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C18H13F2N5O2/c1-27-18-10(3-2-6-21-18)8-25-9-22-16-14(25)17(26)24-15(23-16)12-7-11(19)4-5-13(12)20/h2-7,9H,8H2,1H3,(H,23,24,26)