IC4
Summary
| Name: | 13-methoxy-~{N},~{N}-dimethyl-2-oxa-4-thia-6,7$l^{4}-diaza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(9),5,7,10,12-pentaen-5-amine |
| Formula: | C11 H13 Cu N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 314.851 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H15N3O2S.Cu/c1-14(2)11(17)13-12-7-8-5-4-6-9(16-3)10(8)15;/h4-7,15H,1-3H3,(H,13,17);/q;+2/p-2/b12-7+; |
| InChIKey | InChI | 1.06 | MSEJSUKQGLGJSC-RRAJOLSVSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc2C=[N+]3N=C(S[Cu-]3Oc12)N(C)C |
| SMILES | CACTVS | 3.385 | COc1cccc2C=[N+]3N=C(S[Cu-]3Oc12)N(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C1=N[N+]2=Cc3cccc(c3O[Cu-]2S1)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C1=N[N+]2=Cc3cccc(c3O[Cu-]2S1)OC |
