2-[(3-fluoranyl-4-methoxy-phenyl)methoxy]-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methoxy]-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methoxy]-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methoxy]-N-(2-oxo-3-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methoxy]-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide Traditional Name: 2-(3-fluoro-4-methoxy-benzyl)oxy-N-(2-ketoazepan-3-yl)pyrimidine-5-carboxamide Formula: C19H21FN4O4 MolecularWeight: 388.392843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC2=NC=C(C=N2)C(=O)NC3CCCCNC3=O)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC2=NC=C(C=N2)C(=O)NC3CCCCNC3=O)F

InChI

InChI=1S/C19H21FN4O4/c1-27-16-6-5-12(8-14(16)20)11-28-19-22-9-13(10-23-19)17(25)24-15-4-2-3-7-21-18(15)26/h5-6,8-10,15H,2-4,7,11H2,1H3,(H,21,26)(H,24,25)