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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > s3qel 1.2

Preferred term

s3qel 1.2  

Type

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

Broader concept

charge

  • 0

formula

  • C28H28ClN3O3S

inchi

  • InChI=1S/C28H28ClN3O3S/c29-22-13-9-20(10-14-22)18-36-28-31-25-6-2-1-5-24(25)27(34)32(28)17-19-7-11-21(12-8-19)26(33)30-16-23-4-3-15-35-23/h1-6,9-10,13-15,19,21H,7-8,11-12,16-18H2,(H,30,33)

inchikey

  • AEKFXINUKNBRJN-UHFFFAOYSA-N

mass

  • 522.060

monoisotopicmass

  • 521.15399

smiles

  • C=1C=CC=C2C(=O)N(CC3CCC(C(=O)NCC=4OC=CC4)CC3)C(SCC5=CC=C(Cl)C=C5)=NC12

subset

  • 2_STAR

synonym EXACT

  • 4-[[2-[(4-chlorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232783

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