JQW
Summary
| Name: | 4-[6,7-bis(chloranyl)-1~{H}-indol-3-yl]pyrimidin-2-amine |
| Formula: | C12 H8 Cl2 N4 |
| Formal charge: | 0 |
| Formula weight: | 279.125 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[6,7-bis(chloranyl)-1~{H}-indol-3-yl]pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H8Cl2N4/c13-8-2-1-6-7(5-17-11(6)10(8)14)9-3-4-16-12(15)18-9/h1-5,17H,(H2,15,16,18) |
| InChIKey | InChI | 1.03 | QTGPPZWMCRJECL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nccc(n1)c2c[nH]c3c(Cl)c(Cl)ccc23 |
| SMILES | CACTVS | 3.385 | Nc1nccc(n1)c2c[nH]c3c(Cl)c(Cl)ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c2c1c(c[nH]2)c3ccnc(n3)N)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c2c1c(c[nH]2)c3ccnc(n3)N)Cl)Cl |
