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Concept information

... > organooxygen compound > ether > aromatic ether > methoxybenzenes > dimethoxybenzene > n-[(3,4-dimethoxyphenyl)methyl]-3-(2-pyrimidinylthio)-1-propanamine

Preferred term

n-[(3,4-dimethoxyphenyl)methyl]-3-(2-pyrimidinylthio)-1-propanamine  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C16H21N3O2S

inchi

  • InChI=1S/C16H21N3O2S/c1-20-14-6-5-13(11-15(14)21-2)12-17-7-4-10-22-16-18-8-3-9-19-16/h3,5-6,8-9,11,17H,4,7,10,12H2,1-2H3

inchikey

  • IACZANRWZYQFOD-UHFFFAOYSA-N

mass

  • 319.424

monoisotopicmass

  • 319.13545

smiles

  • COC1=C(C=C(C=C1)CNCCCSC2=NC=CC=N2)OC

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:104083

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