A1JHD
Summary
| Name: | 1-[5-chloranyl-2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-~{N}-[(5-methylpyrazin-2-yl)methyl]azetidine-3-carboxamide |
| Formula: | C18 H25 Cl N8 O |
| Formal charge: | 0 |
| Formula weight: | 404.897 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[5-chloranyl-2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-~{N}-[(5-methylpyrazin-2-yl)methyl]azetidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H25ClN8O/c1-12-6-22-14(7-21-12)8-23-17(28)13-10-27(11-13)16-15(19)9-24-18(25-16)20-4-5-26(2)3/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,23,28)(H,20,24,25) |
| InChIKey | InChI | 1.06 | MOFCMEPDMSMSFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCNc1ncc(Cl)c(n1)N2CC(C2)C(=O)NCc3cnc(C)cn3 |
| SMILES | CACTVS | 3.385 | CN(C)CCNc1ncc(Cl)c(n1)N2CC(C2)C(=O)NCc3cnc(C)cn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc(cn1)CNC(=O)C2CN(C2)c3c(cnc(n3)NCCN(C)C)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(cn1)CNC(=O)C2CN(C2)c3c(cnc(n3)NCCN(C)C)Cl |
