N-[2,3-bis(oxidanyl)propyl]-4-[(4-ethynyl-2-fluoranyl-phenyl)amino]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-[2,3-bis(oxidanyl)propyl]-4-[(4-ethynyl-2-fluoranyl-phenyl)amino]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(2,3-dihydroxypropyl)-4-(4-ethynyl-2-fluoro-anilino)-1-methyl-6-oxo-pyridine-3-carboxamide CAS Name: N-(2,3-dihydroxypropyl)-4-(4-ethynyl-2-fluoroanilino)-1-methyl-6-oxo-3-pyridinecarboxamide IUPAC Name: N-(2,3-dihydroxypropyl)-4-(4-ethynyl-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxamide Traditional Name: 4-(4-ethynyl-2-fluoro-anilino)-N-glyceryl-6-keto-1-methyl-nicotinamide Formula: C18H18FN3O4 MolecularWeight: 359.351623

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=CC1=O)NC2=C(C=C(C=C2)C#C)F)C(=O)NCC(CO)O

Isomeric SMILES

CN1C=C(C(=CC1=O)NC2=C(C=C(C=C2)C#C)F)C(=O)NCC(CO)O

InChI

InChI=1S/C18H18FN3O4/c1-3-11-4-5-15(14(19)6-11)21-16-7-17(25)22(2)9-13(16)18(26)20-8-12(24)10-23/h1,4-7,9,12,21,23-24H,8,10H2,2H3,(H,20,26)