8ZR

~{N},~{N},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine

Created: 2017-11-14
Last modified:  2018-09-05

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count32
Aromatic Bond Count6
2D diagram of 8ZR
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Chemical Component Summary

Name~{N},~{N},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine
Systematic Name (OpenEye OEToolkits)~{N},~{N},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine
FormulaC10 H14 Cu N4 S
Molecular Weight285.856
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385[Cu].CN(C)C(=S)NN=Cc1cccc(C)n1
SMILESOpenEye OEToolkits2.0.6CC1=CC=CC2=[N]1[Cu]3[N](=C2)NC(=[S]3)N(C)C
Canonical SMILESCACTVS3.385 [Cu].CN(C)C(=S)NN=Cc1cccc(C)n1
Canonical SMILESOpenEye OEToolkits2.0.6 CC1=CC=CC2=[N]1[Cu]3[N](=C2)NC(=[S]3)N(C)C
InChIInChI1.03 InChI=1S/C10H14N4S.Cu/c1-8-5-4-6-9(12-8)7-11-13-10(15)14(2)3;/h4-7H,1-3H3,(H,13,15);/b11-7+;
InChIKeyInChI1.03 ZYDBCACRMLYTBZ-RVDQCCQOSA-N