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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyridines > aminopyridine > 1-[3-[(5-bromo-2-pyridinyl)-(phenylmethyl)amino]propyl]-3-[3-(1h-imidazol-5-yl)propyl]thiourea
organic heterocyclic compound > organonitrogen heterocyclic compound > pyridines > aminopyridine > 1-[3-[(5-bromo-2-pyridinyl)-(phenylmethyl)amino]propyl]-3-[3-(1h-imidazol-5-yl)propyl]thiourea
organic heterocyclic compound > organic heteromonocyclic compound > pyridines > aminopyridine > 1-[3-[(5-bromo-2-pyridinyl)-(phenylmethyl)amino]propyl]-3-[3-(1h-imidazol-5-yl)propyl]thiourea
organic aromatic compound > aromatic amine > aminopyridine > 1-[3-[(5-bromo-2-pyridinyl)-(phenylmethyl)amino]propyl]-3-[3-(1h-imidazol-5-yl)propyl]thiourea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > aminopyridine > 1-[3-[(5-bromo-2-pyridinyl)-(phenylmethyl)amino]propyl]-3-[3-(1h-imidazol-5-yl)propyl]thiourea
... > 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 > aminopyridine > 1-[3-[(5-bromo-2-pyridinyl)-(phenylmethyl)amino]propyl]-3-[3-(1h-imidazol-5-yl)propyl]thiourea

Preferred term

1-[3-[(5-bromo-2-pyridinyl)-(phenylmethyl)amino]propyl]-3-[3-(1h-imidazol-5-yl)propyl]thiourea  

Type

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

Broader concept

charge

  • 0

formula

  • C22H27BrN6S

inchi

  • InChI=1S/C22H27BrN6S/c23-19-9-10-21(27-14-19)29(16-18-6-2-1-3-7-18)13-5-12-26-22(30)25-11-4-8-20-15-24-17-28-20/h1-3,6-7,9-10,14-15,17H,4-5,8,11-13,16H2,(H,24,28)(H2,25,26,30)

inchikey

  • JSFKWPGDWYVELH-UHFFFAOYSA-N

mass

  • 487.460

monoisotopicmass

  • 486.12013

smiles

  • C1=CC=C(C=C1)CN(CCCNC(=S)NCCCC2=CN=CN2)C3=NC=C(C=C3)Br

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:92581

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