A1D6U
Summary
| Name: | ~{N},~{N}-dimethyl-7-propan-2-yl-3-thia-5-aza-1,6-diazonia-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine |
| Formula: | C12 H17 Cu N4 S |
| Formal charge: | 2 |
| Formula weight: | 312.901 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N},~{N}-dimethyl-7-propan-2-yl-3-thia-5-aza-1,6-diazonia-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | 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+; |
| InChIKey | InChI | 1.06 | MMVNHFWKDOBSNA-JHGYPSGKSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C1=[N+]2N=C(S[Cu]2[n+]3ccccc13)N(C)C |
| SMILES | CACTVS | 3.385 | CC(C)C1=[N+]2N=C(S[Cu]2[n+]3ccccc13)N(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C1=[N+]2N=C(S[Cu]2[n+]3c1cccc3)N(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C1=[N+]2N=C(S[Cu]2[n+]3c1cccc3)N(C)C |
