| PDB CCD ID: | IC4 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C11 H13 Cu N3 O2 S |
| InChI: | 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: | MSEJSUKQGLGJSC-RRAJOLSVSA-L |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CN(C)C1=N[N+]2=Cc3cccc(c3O[Cu-]2S1)OC | | CACTVS 3.385 | COc1cccc2C=[N+]3N=C(S[Cu-]3Oc12)N(C)C |
|
| 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 |
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