3,5,6,7,8,9-Hexahydro-3-oxopyrimido[1,6-a]azepine-4-carbonitrile

CAS Registry Number®

76140-89-1

CAS Name

3,5,6,7,8,9-Hexahydro-3-oxopyrimido[1,6-a]azepine-4-carbonitrile

Molecular Formula

C10H11N3O

Molecular Mass

189.21

Cite this Page

3,5,6,7,8,9-Hexahydro-3-oxopyrimido[1,6-a]azepine-4-carbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76140-89-1 (retrieved 2024-10-10) (CAS RN: 76140-89-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H11N3O/c11-6-8-9-4-2-1-3-5-13(9)7-12-10(8)14/h7H,1-5H2

InChIKey

InChIKey=XCJKTGYEPNEQGU-UHFFFAOYSA-N

SMILES

C(#N)C1=C2N(C=NC1=O)CCCCC2

Canonical SMILES

N#CC=1C(=O)N=CN2C1CCCCC2

Other Names for this Substance

  • Pyrimido[1,6-a]azepine-4-carbonitrile, 3,5,6,7,8,9-hexahydro-3-oxo-
  • 3,5,6,7,8,9-Hexahydro-3-oxopyrimido[1,6-a]azepine-4-carbonitrile
  • 3-Oxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepine-4-carbonitrile
  • 3-Oxo-3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepine-4-carbonitrile

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox