JGT
Summary
| Name: | ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine |
| Formula: | C14 H14 Br N3 |
| Formal charge: | 0 |
| Formula weight: | 304.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H14BrN3/c1-9-8-12(15)13(18-14-16-6-7-17-14)11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H2,16,17,18) |
| InChIKey | InChI | 1.03 | UYAOIRISFNRFCT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(Br)c(NC2=NCCN2)c3ccccc13 |
| SMILES | CACTVS | 3.385 | Cc1cc(Br)c(NC2=NCCN2)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c2c1cccc2)NC3=NCCN3)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c2c1cccc2)NC3=NCCN3)Br |
