JTQ
Summary
| Name: | 5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine |
| Formula: | C13 H10 Cl2 N4 |
| Formal charge: | 0 |
| Formula weight: | 293.151 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H10Cl2N4/c1-19-5-9(8-4-17-6-18-13(8)16)7-2-3-10(14)11(15)12(7)19/h2-6H,1H3,(H2,16,17,18) |
| InChIKey | InChI | 1.03 | QPVJIMUMKNWEER-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(c2ccc(Cl)c(Cl)c12)c3cncnc3N |
| SMILES | CACTVS | 3.385 | Cn1cc(c2ccc(Cl)c(Cl)c12)c3cncnc3N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(c2c1c(c(cc2)Cl)Cl)c3cncnc3N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(c2c1c(c(cc2)Cl)Cl)c3cncnc3N |
