72Y
Summary
| Name: | 4-chloranyl-7-[(4-chloranyl-3,5-dimethyl-pyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine |
| Formula: | C14 H13 Cl2 N5 |
| Formal charge: | 0 |
| Formula weight: | 322.193 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 4-chloranyl-7-[(4-chloranyl-3,5-dimethyl-pyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H13Cl2N5/c1-7-5-18-10(8(2)11(7)15)6-21-4-3-9-12(16)19-14(17)20-13(9)21/h3-5H,6H2,1-2H3,(H2,17,19,20) |
| InChIKey | InChI | 1.03 | UTYKALJIQPGPEY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cnc(Cn2ccc3c(Cl)nc(N)nc23)c(C)c1Cl |
| SMILES | CACTVS | 3.385 | Cc1cnc(Cn2ccc3c(Cl)nc(N)nc23)c(C)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1cnc(c(c1Cl)C)Cn2ccc3c2nc(nc3Cl)N |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1cnc(c(c1Cl)C)Cn2ccc3c2nc(nc3Cl)N |
