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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbonyl compound > ketone > aromatic ketone > 1-(5-chloro-2-methoxyphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 1-(5-chloro-2-methoxyphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 1-(5-chloro-2-methoxyphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone

Preferred term

1-(5-chloro-2-methoxyphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone  

Type

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

Broader concept

charge

  • 0

formula

  • C13H13ClN4O2S

inchi

  • InChI=1S/C13H13ClN4O2S/c1-20-10-3-2-7(14)4-8(10)9(19)6-21-13-17-11(15)5-12(16)18-13/h2-5H,6H2,1H3,(H4,15,16,17,18)

inchikey

  • RGGRTIAUGLTXOS-UHFFFAOYSA-N

mass

  • 324.787

monoisotopicmass

  • 324.04477

smiles

  • COC1=C(C=C(C=C1)Cl)C(=O)CSC2=NC(=CC(=N2)N)N

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:105953

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