A1D6U

~{N},~{N}-dimethyl-7-propan-2-yl-3-thia-5-aza-1,6-diazonia-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine

Created:2024-03-15
Last modified:  2025-03-12

Help

Find related ligands:

Chemical Details

Formal Charge2
Atom Count35
Chiral Atom Count0
Bond Count37
Aromatic Bond Count6
2D diagram of A1D6U

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name~{N},~{N}-dimethyl-7-propan-2-yl-3-thia-5-aza-1,6-diazonia-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine
Systematic Name (OpenEye OEToolkits)~{N},~{N}-dimethyl-7-propan-2-yl-3-thia-5-aza-1,6-diazonia-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine
FormulaC12 H17 Cu N4 S
Molecular Weight312.901
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC(C)C1=[N+]2N=C(S[Cu]2[n+]3ccccc13)N(C)C
SMILESOpenEye OEToolkits2.0.7CC(C)C1=[N+]2N=C(S[Cu]2[n+]3c1cccc3)N(C)C
Canonical SMILESCACTVS3.385 CC(C)C1=[N+]2N=C(S[Cu]2[n+]3ccccc13)N(C)C
Canonical SMILESOpenEye OEToolkits2.0.7 CC(C)C1=[N+]2N=C(S[Cu]2[n+]3c1cccc3)N(C)C
InChIInChI1.06 InChI=1S/C12H18N4S.Cu/c1-9(2)11(10-7-5-6-8-13-10)14-15-12(17)16(3)4;/h5-9H,1-4H3,(H,15,17);/q;+3/p-1/b14-11+;
InChIKeyInChI1.06 MMVNHFWKDOBSNA-JHGYPSGKSA-M