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

Systemtic Name: 4-[[2-(5-chloranyl-2-fluoranyl-phenyl)-5-methoxy-pyrimidin-4-yl]amino]-N-(2-cyanoethyl)pyridine-3-carboxamide Openeye Name: 4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-pyrimidin-4-yl]amino]-N-(2-cyanoethyl)pyridine-3-carboxamide CAS Name: 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxy-4-pyrimidinyl]amino]-N-(2-cyanoethyl)-3-pyridinecarboxamide IUPAC Name: 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-(2-cyanoethyl)pyridine-3-carboxamide Traditional Name: 4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-pyrimidin-4-yl]amino]-N-(2-cyanoethyl)nicotinamide Formula: C20H16ClFN6O2 MolecularWeight: 426.831443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClFN6O2/c1-30-17-11-26-18(13-9-12(21)3-4-15(13)22)28-19(17)27-16-5-8-24-10-14(16)20(29)25-7-2-6-23/h3-5,8-11H,2,7H2,1H3,(H,25,29)(H,24,26,27,28)