EFJ
Summary
| Name: | 2-(1~{H}-benzimidazol-2-ylsulfanylmethyl)-3-bromanyl-5,7-dimethyl-imidazo[1,2-a]pyrimidine |
| Formula: | C16 H14 Br N5 S |
| Formal charge: | 0 |
| Formula weight: | 388.285 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(1~{H}-benzimidazol-2-ylsulfanylmethyl)-3-bromanyl-5,7-dimethyl-imidazo[1,2-a]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H14BrN5S/c1-9-7-10(2)22-14(17)13(19-15(22)18-9)8-23-16-20-11-5-3-4-6-12(11)21-16/h3-7H,8H2,1-2H3,(H,20,21) |
| InChIKey | InChI | 1.06 | ALBNESBXBIORDS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)n2c(Br)c(CSc3[nH]c4ccccc4n3)nc2n1 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)n2c(Br)c(CSc3[nH]c4ccccc4n3)nc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(n2c(c(nc2n1)CSc3[nH]c4ccccc4n3)Br)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(n2c(c(nc2n1)CSc3[nH]c4ccccc4n3)Br)C |
