DY7
Summary
| Name: | 2-amino-4-[(3,5-dibromophenyl)amino]-6-methylpyrimidin-1-ium |
| Formula: | C11 H11 Br2 N4 |
| Formal charge: | 1 |
| Formula weight: | 359.04 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-4-[(3,5-dibromophenyl)amino]-6-methylpyrimidin-1-ium |
| OpenEye OEToolkits | 2.0.6 | ~{N}4-[3,5-bis(bromanyl)phenyl]-6-methyl-pyrimidin-1-ium-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(C)cc(nc([nH+]1)N)Nc2cc(cc(c2)Br)Br |
| InChI | InChI | 1.03 | InChI=1S/C11H10Br2N4/c1-6-2-10(17-11(14)15-6)16-9-4-7(12)3-8(13)5-9/h2-5H,1H3,(H3,14,15,16,17)/p+1 |
| InChIKey | InChI | 1.03 | KGGBAZUXVZBIGO-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(Nc2cc(Br)cc(Br)c2)nc(N)[nH+]1 |
| SMILES | CACTVS | 3.385 | Cc1cc(Nc2cc(Br)cc(Br)c2)nc(N)[nH+]1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc([nH+]1)N)Nc2cc(cc(c2)Br)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc([nH+]1)N)Nc2cc(cc(c2)Br)Br |
