8ZR
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 |
| Formula: | C10 H14 Cu N4 S |
| Formal charge: | 0 |
| Formula weight: | 285.856 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{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 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | 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+; |
| InChIKey | InChI | 1.03 | ZYDBCACRMLYTBZ-RVDQCCQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [Cu].CN(C)C(=S)NN=Cc1cccc(C)n1 |
| SMILES | CACTVS | 3.385 | [Cu].CN(C)C(=S)NN=Cc1cccc(C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=CC=CC2=[N]1[Cu]3[N](=C2)NC(=[S]3)N(C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1=CC=CC2=[N]1[Cu]3[N](=C2)NC(=[S]3)N(C)C |
