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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azepine > n-(3,4,5,6-tetrahydro-2h-azepin-7-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > azepine > n-(3,4,5,6-tetrahydro-2h-azepin-7-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > azepine > n-(3,4,5,6-tetrahydro-2h-azepin-7-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

Preferred term

n-(3,4,5,6-tetrahydro-2h-azepin-7-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine  

Type

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

Broader concept

charge

  • 0

formula

  • C13H19N3S

inchi

  • InChI=1S/C13H19N3S/c1-2-8-12(14-9-5-1)16-13-15-10-6-3-4-7-11(10)17-13/h1-9H2,(H,14,15,16)

inchikey

  • GHUOKLVMULNZKL-UHFFFAOYSA-N

mass

  • 249.377

monoisotopicmass

  • 249.12997

smiles

  • C1CCC(=NCC1)NC2=NC3=C(S2)CCCC3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:123192

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