N-(3,4-dimethoxyphenyl)-2-[5-methoxy-4-oxidanylidene-2-(pyrimidin-2-ylsulfanylmethyl)pyridin-1-yl]ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[5-methoxy-4-oxidanylidene-2-(pyrimidin-2-ylsulfanylmethyl)pyridin-1-yl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridyl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[5-methoxy-4-oxo-2-[(2-pyrimidinylthio)methyl]-1-pyridinyl]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)pyridin-1-yl]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[4-keto-5-methoxy-2-[(2-pyrimidylthio)methyl]-1-pyridyl]acetamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2C=C(C(=O)C=C2CSC3=NC=CC=N3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2C=C(C(=O)C=C2CSC3=NC=CC=N3)OC)OC

InChI

InChI=1S/C21H22N4O5S/c1-28-17-6-5-14(9-18(17)29-2)24-20(27)12-25-11-19(30-3)16(26)10-15(25)13-31-21-22-7-4-8-23-21/h4-11H,12-13H2,1-3H3,(H,24,27)