1-[(2-fluorophenyl)methyl]-2-oxidanylidene-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide

Systemtic Name: 1-[(2-fluorophenyl)methyl]-2-oxidanylidene-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide Openeye Name: 1-[(2-fluorophenyl)methyl]-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide CAS Name: 1-[(2-fluorophenyl)methyl]-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide IUPAC Name: 1-[(2-fluorophenyl)methyl]-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide Traditional Name: 1-(2-fluorobenzyl)-2-keto-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide Formula: C21H14FN7O2 MolecularWeight: 415.379963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C=C(C2=O)C(=O)NC4=NC=NC5=C4NC=N5)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C=C(C2=O)C(=O)NC4=NC=NC5=C4NC=N5)F

InChI

InChI=1S/C21H14FN7O2/c22-15-6-2-1-4-13(15)9-29-19-12(5-3-7-23-19)8-14(21(29)31)20(30)28-18-16-17(25-10-24-16)26-11-27-18/h1-8,10-11H,9H2,(H2,24,25,26,27,28,30)