O1K
Summary
| Name: | (5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine |
| Formula: | C10 H5 Cl2 N5 |
| Formal charge: | 0 |
| Formula weight: | 266.086 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine |
| OpenEye OEToolkits | 2.0.7 | 5-[2,5-bis(chloranyl)pyrimidin-4-yl]pyrrolo[3,2-d]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cnc(Cl)nc1n1ccc2ncncc21 |
| InChI | InChI | 1.03 | InChI=1S/C10H5Cl2N5/c11-6-3-14-10(12)16-9(6)17-2-1-7-8(17)4-13-5-15-7/h1-5H |
| InChIKey | InChI | 1.03 | MZVKJKCCHKCFTH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ncc(Cl)c(n1)n2ccc3ncncc23 |
| SMILES | CACTVS | 3.385 | Clc1ncc(Cl)c(n1)n2ccc3ncncc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cn(c2c1ncnc2)c3c(cnc(n3)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cn(c2c1ncnc2)c3c(cnc(n3)Cl)Cl |
