EUU
Summary
| Name: | 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine |
| Formula: | C21 H29 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 415.552 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-~{N}-propyl-pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H29N5O2S/c1-5-10-22-20-15-18(23-21(24-20)29(4,27)28)16-7-8-19-17(14-16)9-13-26(19)12-6-11-25(2)3/h7-9,13-15H,5-6,10-12H2,1-4H3,(H,22,23,24) |
| InChIKey | InChI | 1.03 | ZDOGUAMAYSSYLX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCNc1cc(nc(n1)[S](C)(=O)=O)c2ccc3n(CCCN(C)C)ccc3c2 |
| SMILES | CACTVS | 3.385 | CCCNc1cc(nc(n1)[S](C)(=O)=O)c2ccc3n(CCCN(C)C)ccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCNc1cc(nc(n1)S(=O)(=O)C)c2ccc3c(c2)ccn3CCCN(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCNc1cc(nc(n1)S(=O)(=O)C)c2ccc3c(c2)ccn3CCCN(C)C |
