CK1
Summary
| Name: | 4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-2-AMINE |
| Synonyms: | 4-(2,5-DICHLORO-THIOPHEN-3-YL)-PYRIMIDIN-2-YLAMINE |
| Formula: | C8 H5 Cl2 N3 S |
| Formal charge: | 0 |
| Formula weight: | 246.116 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(2,5-dichlorothiophen-3-yl)pyrimidin-2-amine |
| OpenEye OEToolkits | 1.5.0 | 4-(2,5-dichlorothiophen-3-yl)pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc2sc(Cl)cc2c1nc(ncc1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1nccc(n1)c2cc(Cl)sc2Cl |
| SMILES | CACTVS | 3.341 | Nc1nccc(n1)c2cc(Cl)sc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cnc(nc1c2cc(sc2Cl)Cl)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cnc(nc1c2cc(sc2Cl)Cl)N |
| InChI | InChI | 1.03 | InChI=1S/C8H5Cl2N3S/c9-6-3-4(7(10)14-6)5-1-2-12-8(11)13-5/h1-3H,(H2,11,12,13) |
| InChIKey | InChI | 1.03 | PAPYICJQRHSQGK-UHFFFAOYSA-N |
