S2I
Summary
| Name: | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol |
| Formula: | C22 H25 N5 O |
| Formal charge: | 0 |
| Formula weight: | 375.467 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H25N5O/c28-15-5-12-24-20-16-21(26-22(25-20)19-8-3-4-11-23-19)27-13-9-17-6-1-2-7-18(17)10-14-27/h1-4,6-8,11,16,28H,5,9-10,12-15H2,(H,24,25,26) |
| InChIKey | InChI | 1.03 | XLIJLZCIQJERJQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCCNc1cc(nc(n1)c2ccccn2)N3CCc4ccccc4CC3 |
| SMILES | CACTVS | 3.385 | OCCCNc1cc(nc(n1)c2ccccn2)N3CCc4ccccc4CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCCO |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCCO |
