A1JHH
Summary
| Name: | 1-[5-chloranyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-~{N}-(isoquinolin-4-ylmethyl)azetidine-3-carboxamide |
| Formula: | C24 H28 Cl N7 O |
| Formal charge: | 0 |
| Formula weight: | 465.978 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[5-chloranyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-~{N}-(isoquinolin-4-ylmethyl)azetidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H28ClN7O/c1-30-7-4-8-31(10-9-30)24-28-14-21(25)22(29-24)32-15-19(16-32)23(33)27-13-18-12-26-11-17-5-2-3-6-20(17)18/h2-3,5-6,11-12,14,19H,4,7-10,13,15-16H2,1H3,(H,27,33) |
| InChIKey | InChI | 1.06 | LHTCCHZIPVDKGW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCCN(CC1)c2ncc(Cl)c(n2)N3CC(C3)C(=O)NCc4cncc5ccccc45 |
| SMILES | CACTVS | 3.385 | CN1CCCN(CC1)c2ncc(Cl)c(n2)N3CC(C3)C(=O)NCc4cncc5ccccc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCCN(CC1)c2ncc(c(n2)N3CC(C3)C(=O)NCc4cncc5c4cccc5)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCCN(CC1)c2ncc(c(n2)N3CC(C3)C(=O)NCc4cncc5c4cccc5)Cl |
