5-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-chloranyl-benzenediazonium tetrafluoroborate

Systemtic Name: 5-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-chloranyl-benzenediazonium tetrafluoroborate Openeye Name: 2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)benzenediazonium tetrafluoroborate CAS Name: 2-chloro-5-(2,4-diamino-6-ethyl-5-pyrimidinyl)benzenediazonium tetrafluoroborate IUPAC Name: 2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)benzenediazonium tetrafluoroborate Traditional Name: 2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)benzenediazonium tetrafluoroborate Formula: C12H12BClF4N6 MolecularWeight: 362.521493

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)[N+]#N

Isomeric SMILES

[B-](F)(F)(F)F.CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)[N+]#N

InChI

InChI=1S/C12H12ClN6.BF4/c1-2-8-10(11(14)18-12(15)17-8)6-3-4-7(13)9(5-6)19-16;2-1(3,4)5/h3-5H,2H2,1H3,(H4,14,15,17,18);/q+1;-1