N-[[4-(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)oxy-3-ethoxy-phenyl]methylideneamino]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[[4-(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)oxy-3-ethoxy-phenyl]methylideneamino]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[[4-(2-chloro-5-fluoro-pyrimidin-4-yl)oxy-3-ethoxy-phenyl]methyleneamino]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[[4-[(2-chloro-5-fluoro-4-pyrimidinyl)oxy]-3-ethoxyphenyl]methylideneamino]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[[4-(2-chloro-5-fluoro-pyrimidin-4-yl)oxy-3-ethoxy-benzylidene]amino]-2-morpholin-4-ium-4-yl-acetamide Formula: C19H22ClFN5O4+ MolecularWeight: 438.860483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C[NH+]2CCOCC2)OC3=NC(=NC=C3F)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=NNC(=O)C[NH+]2CCOCC2)OC3=NC(=NC=C3F)Cl

InChI

InChI=1S/C19H21ClFN5O4/c1-2-29-16-9-13(10-23-25-17(27)12-26-5-7-28-8-6-26)3-4-15(16)30-18-14(21)11-22-19(20)24-18/h3-4,9-11H,2,5-8,12H2,1H3,(H,25,27)/p+1