A56
Summary
| Name: | 6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE |
| Formula: | C13 H10 Br N5 |
| Formal charge: | 0 |
| Formula weight: | 316.156 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-(3-bromonaphthalen-2-yl)-1,3,5-triazine-2,4-diamine |
| OpenEye OEToolkits | 1.5.0 | 6-(3-bromonaphthalen-2-yl)-1,3,5-triazine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc3c(c1nc(nc(n1)N)N)cc2ccccc2c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1nc(N)nc(n1)c2cc3ccccc3cc2Br |
| SMILES | CACTVS | 3.341 | Nc1nc(N)nc(n1)c2cc3ccccc3cc2Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(c(cc2c1)c3nc(nc(n3)N)N)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(c(cc2c1)c3nc(nc(n3)N)N)Br |
| InChI | InChI | 1.03 | InChI=1S/C13H10BrN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19) |
| InChIKey | InChI | 1.03 | RXSSKAZHCZWJPP-UHFFFAOYSA-N |
