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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > 4-amino-7,8,9,10-tetrahydro-6h-pyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > 4-amino-7,8,9,10-tetrahydro-6h-pyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile

Preferred term

4-amino-7,8,9,10-tetrahydro-6h-pyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile  

Type

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

charge

  • 0

formula

  • C12H13N5

inchi

  • InChI=1S/C12H13N5/c13-6-8-9-4-2-1-3-5-17(9)11-10(8)15-7-16-12(11)14/h7H,1-5H2,(H2,14,15,16)

inchikey

  • ZJKJCMVEAVZAGT-UHFFFAOYSA-N

mass

  • 227.266

monoisotopicmass

  • 227.11710

smiles

  • C1CCC2=C(C3=C(N2CC1)C(=NC=N3)N)C#N

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:109780

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