5OD
Summary
| Name: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine |
| Synonyms: | SHP099 |
| Formula: | C16 H19 Cl2 N5 |
| Formal charge: | 0 |
| Formula weight: | 352.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H19Cl2N5/c1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18/h2-4,9H,5-8,20H2,1H3,(H2,19,22) |
| InChIKey | InChI | 1.03 | YGUFCDOEKKVKJK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(N)CCN(CC1)c2cnc(c(N)n2)c3cccc(Cl)c3Cl |
| SMILES | CACTVS | 3.385 | CC1(N)CCN(CC1)c2cnc(c(N)n2)c3cccc(Cl)c3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC1(CCN(CC1)c2cnc(c(n2)N)c3cccc(c3Cl)Cl)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC1(CCN(CC1)c2cnc(c(n2)N)c3cccc(c3Cl)Cl)N |
