BAZ
Summary
| Name: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC |
| Formula: | C17 H16 N8 Zn |
| Formal charge: | 2 |
| Formula weight: | 397.772 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye/Lexichem | 1.4 | [5-carbamimidoyl-2-[(6-carbamimidoyl-1H-benzoimidazol-2-yl)methyl]-3H-benzoimidazol-1-yl]zinc |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H16N8.Zn/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15;/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25);/q;+2 |
| InChIKey | InChI | 1.06 | YKSMKIJLUWPKOX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [Zn++].NC(=N)c1ccc2nc(Cc3[nH]c4cc(ccc4n3)C(N)=N)[nH]c2c1 |
| SMILES | CACTVS | 3.385 | [Zn++].NC(=N)c1ccc2nc(Cc3[nH]c4cc(ccc4n3)C(N)=N)[nH]c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1ccc2c(c1)NC3=[N]2[Zn+2][N]4=C(C3)Nc5c4ccc(c5)C(=N)N)/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=N)N)NC3=[N]2[Zn+2][N]4=C(C3)Nc5c4ccc(c5)C(=N)N |
