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Chemistry, part 3

Content language

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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 > mc2050

Preferred term

mc2050  

Type

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

Broader concept

charge

  • 0

formula

  • C19H21N5OS

has_role

inchi

  • InChI=1S/C19H21N5OS/c25-18-15-5-1-2-6-16(15)21-19(22-18)26-14-13-23-9-11-24(12-10-23)17-7-3-4-8-20-17/h1-8H,9-14H2,(H,21,22,25)

inchikey

  • AFXJUCILCGBUNX-UHFFFAOYSA-N

mass

  • 367.470

monoisotopicmass

  • 367.14668

smiles

  • C1=CC=C2C(=C1)C(=NC(=N2)SCCN3CCN(CC3)C4=CC=CC=N4)O

subset

  • 2_STAR

synonym EXACT

  • 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3H-quinazolin-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232977

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