(phenylmethyl) 2-[3-(2,6-dimethoxypyrimidin-4-yl)-3-oxidanyl-prop-1-ynyl]-2H-pyridine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[3-(2,6-dimethoxypyrimidin-4-yl)-3-oxidanyl-prop-1-ynyl]-2H-pyridine-1-carboxylate Openeye Name: benzyl 2-[3-(2,6-dimethoxypyrimidin-4-yl)-3-hydroxy-prop-1-ynyl]-2H-pyridine-1-carboxylate CAS Name: 2-[3-(2,6-dimethoxy-4-pyrimidinyl)-3-hydroxyprop-1-ynyl]-2H-pyridine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(2,6-dimethoxypyrimidin-4-yl)-3-hydroxyprop-1-ynyl]-2H-pyridine-1-carboxylate Traditional Name: 2-[3-(2,6-dimethoxypyrimidin-4-yl)-3-hydroxy-prop-1-ynyl]-2H-pyridine-1-carboxylic acid benzyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)C(C#CC2C=CC=CN2C(=O)OCC3=CC=CC=C3)O)OC

Isomeric SMILES

COC1=NC(=NC(=C1)C(C#CC2C=CC=CN2C(=O)OCC3=CC=CC=C3)O)OC

InChI

InChI=1S/C22H21N3O5/c1-28-20-14-18(23-21(24-20)29-2)19(26)12-11-17-10-6-7-13-25(17)22(27)30-15-16-8-4-3-5-9-16/h3-10,13-14,17,19,26H,15H2,1-2H3