YMN
Summary
| Name: | 1-[(3-iodanylphenyl)methyl]guanidine |
| Formula: | C8 H10 I N3 |
| Formal charge: | 0 |
| Formula weight: | 275.09 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(3-iodanylphenyl)methyl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H10IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12) |
| InChIKey | InChI | 1.06 | PDWUPXJEEYOOTR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NCc1cccc(I)c1 |
| SMILES | CACTVS | 3.385 | NC(=N)NCc1cccc(I)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/N)\NCc1cccc(c1)I |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)I)CNC(=N)N |
