2-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one

Systemtic Name: 2-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one Openeye Name: 2-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one CAS Name: 2-[(4-fluorophenyl)-(2-pyrimidinylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone IUPAC Name: 2-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one Traditional Name: 2-[(4-fluorophenyl)-(2-pyrimidylamino)methyl]-3-hydroxy-6-methylol-pyran-4-one Formula: C17H14FN3O4 MolecularWeight: 343.309163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(C2=CC=C(C=C2)F)C3=C(C(=O)C=C(O3)CO)O

Isomeric SMILES

C1=CN=C(N=C1)NC(C2=CC=C(C=C2)F)C3=C(C(=O)C=C(O3)CO)O

InChI

InChI=1S/C17H14FN3O4/c18-11-4-2-10(3-5-11)14(21-17-19-6-1-7-20-17)16-15(24)13(23)8-12(9-22)25-16/h1-8,14,22,24H,9H2,(H,19,20,21)