N4,N6-bis[(4-fluoranyl-3-methoxy-phenyl)methyl]pyrimidine-4,6-dicarboxamide

Systemtic Name: N4,N6-bis[(4-fluoranyl-3-methoxy-phenyl)methyl]pyrimidine-4,6-dicarboxamide Openeye Name: N4,N6-bis[(4-fluoro-3-methoxy-phenyl)methyl]pyrimidine-4,6-dicarboxamide CAS Name: N4,N6-bis[(4-fluoro-3-methoxyphenyl)methyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 4-N,6-N-bis[(4-fluoro-3-methoxyphenyl)methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N,N'-bis(4-fluoro-3-methoxy-benzyl)pyrimidine-4,6-dicarboxamide Formula: C22H20F2N4O4 MolecularWeight: 442.415406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CC(=C(C=C3)F)OC)F

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CC(=C(C=C3)F)OC)F

InChI

InChI=1S/C22H20F2N4O4/c1-31-19-7-13(3-5-15(19)23)10-25-21(29)17-9-18(28-12-27-17)22(30)26-11-14-4-6-16(24)20(8-14)32-2/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30)