N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)CNC(=O)CSC3=NC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)CNC(=O)CSC3=NC=CC=N3)OC

InChI

InChI=1S/C18H18N4O4S/c1-24-14-5-4-12(8-16(14)25-2)15-9-13(22-26-15)10-21-17(23)11-27-18-19-6-3-7-20-18/h3-9H,10-11H2,1-2H3,(H,21,23)