N-(3-azanyl-3-oxidanylidene-propyl)-4-[[2-(5-chloranyl-2-fluoranyl-phenyl)-5-methoxy-pyrimidin-4-yl]amino]pyridine-3-carboxamide

Systemtic Name: N-(3-azanyl-3-oxidanylidene-propyl)-4-[[2-(5-chloranyl-2-fluoranyl-phenyl)-5-methoxy-pyrimidin-4-yl]amino]pyridine-3-carboxamide Openeye Name: N-(3-amino-3-oxo-propyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-pyrimidin-4-yl]amino]pyridine-3-carboxamide CAS Name: N-(3-amino-3-oxopropyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-methoxy-4-pyrimidinyl]amino]-3-pyridinecarboxamide IUPAC Name: N-(3-amino-3-oxopropyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxamide Traditional Name: N-(3-amino-3-keto-propyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-pyrimidin-4-yl]amino]nicotinamide Formula: C20H18ClFN6O3 MolecularWeight: 444.846723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1NC2=C(C=NC=C2)C(=O)NCCC(=O)N)C3=C(C=CC(=C3)Cl)F

Isomeric SMILES

COC1=CN=C(N=C1NC2=C(C=NC=C2)C(=O)NCCC(=O)N)C3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C20H18ClFN6O3/c1-31-16-10-26-18(12-8-11(21)2-3-14(12)22)28-19(16)27-15-4-6-24-9-13(15)20(30)25-7-5-17(23)29/h2-4,6,8-10H,5,7H2,1H3,(H2,23,29)(H,25,30)(H,24,26,27,28)