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Chemistry, part 1

Content language

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Concept information

organic aromatic compound > aromatic amine > anilines > substituted aniline > 2-(4-ethoxy-3-methoxyphenyl)-4-mercapto-3-(4-methoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > anilines > substituted aniline > 2-(4-ethoxy-3-methoxyphenyl)-4-mercapto-3-(4-methoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > anilines > substituted aniline > 2-(4-ethoxy-3-methoxyphenyl)-4-mercapto-3-(4-methoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile

Preferred term

2-(4-ethoxy-3-methoxyphenyl)-4-mercapto-3-(4-methoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C21H21N3O4S

inchi

  • InChI=1S/C21H21N3O4S/c1-4-28-17-10-5-13(11-18(17)27-3)19-23-20(25)16(12-22)21(29)24(19)14-6-8-15(26-2)9-7-14/h5-11,19,29H,4H2,1-3H3,(H,23,25)

inchikey

  • NJLLDFWHGQSEIE-UHFFFAOYSA-N

mass

  • 411.476

monoisotopicmass

  • 411.12528

smiles

  • CCOC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=C(C=C3)OC)S)C#N)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111395

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