2-[6-(azepan-1-yl)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-N-oxidanyl-ethanamide

Systemtic Name: 2-[6-(azepan-1-yl)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-N-oxidanyl-ethanamide Openeye Name: 2-[6-(azepan-1-yl)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]ethanehydroxamic acid CAS Name: 2-[6-(1-azepanyl)-2-(3,4,5-trimethoxyphenyl)-4-pyrimidinyl]-N-hydroxyacetamide IUPAC Name: 2-[6-(azepan-1-yl)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-N-hydroxyacetamide Traditional Name: 2-[6-(azepan-1-yl)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]ethanehydroxamic acid Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC(=CC(=N2)N3CCCCCC3)CC(=O)NO

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC(=CC(=N2)N3CCCCCC3)CC(=O)NO

InChI

InChI=1S/C21H28N4O5/c1-28-16-10-14(11-17(29-2)20(16)30-3)21-22-15(13-19(26)24-27)12-18(23-21)25-8-6-4-5-7-9-25/h10-12,27H,4-9,13H2,1-3H3,(H,24,26)