Cycloaddition reactions of heterocyclic azides with 2-cyanoacetamidines as a new route to C,N-diheteroarylcarbamidines

Pavel S. Silaichev, Tetyana V. Beryozkina, Vsevolod V. Melekhin, Valeriy O. Filimonov, Andrey N. Maslivets, Vladimir G. Ilkin, Wim Dehaen and Vasiliy A. Bakulev
Beilstein J. Org. Chem. 2024, 20, 17–24. https://doi.org/10.3762/bjoc.20.3
Back To Structures
Chemical structure C<sub>20</sub>H<sub>23</sub>N<sub>9</sub>O<sub>3</sub>

Downloads

Download CDXML

Links

Show this compound on PubChem

Extracted from

Scheme 2

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula C20H23N9O3
Molecular Weight 437.46 g/mol
Exact Mass 437.1924 Da
InChI
InChI=1S/C20H23N9O3/c1-27-15(9-16(30)28(2)20(27)31)24-18(21)17-19(22)29(26-25-17)7-6-11-10-23-14-5-4-12(32-3)8-13(11)14/h4-5,8-10,23H,6-7,22H2,1-3H3,(H2,21,24)
InChIKey
AKGVQNCEGSWNKM-UHFFFAOYSA-N
SMILES
CN1C(=CC(=O)N(C)C1=O)/N=C(/C2=C(N)N(CCC3=CNC4=C3C=C(C=C4)OC)N=N2)\N
Number of Atoms 55
Number of H-Bond Acceptors 12
Number of H-Bond Donors 3
Atoms in the Largest π-System 17
XLogP -0.7
Back To Structures
Zoomed SVG