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

Systemtic Name: 2-[6-(azepan-2-yl)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-N-oxidanyl-ethanamide Openeye Name: 2-[6-(azepan-2-yl)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]ethanehydroxamic acid CAS Name: 2-[6-(2-azepanyl)-2-(3,4,5-trimethoxyphenyl)-4-pyrimidinyl]-N-hydroxyacetamide IUPAC Name: 2-[6-(azepan-2-yl)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-N-hydroxyacetamide Traditional Name: 2-[6-(azepan-2-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)CC(=O)NO)C3CCCCCN3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC(=CC(=N2)CC(=O)NO)C3CCCCCN3

InChI

InChI=1S/C21H28N4O5/c1-28-17-9-13(10-18(29-2)20(17)30-3)21-23-14(12-19(26)25-27)11-16(24-21)15-7-5-4-6-8-22-15/h9-11,15,22,27H,4-8,12H2,1-3H3,(H,25,26)