6FI
Summary
| Name: | 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine |
| Formula: | C17 H24 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 364.462 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[4-[3-(dimethylamino)propoxy]phenyl]-~{N}-methyl-2-methylsulfonyl-pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H24N4O3S/c1-18-16-12-15(19-17(20-16)25(4,22)23)13-6-8-14(9-7-13)24-11-5-10-21(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,18,19,20) |
| InChIKey | InChI | 1.03 | YBXAQIKRNSWPHA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1cc(nc(n1)[S](C)(=O)=O)c2ccc(OCCCN(C)C)cc2 |
| SMILES | CACTVS | 3.385 | CNc1cc(nc(n1)[S](C)(=O)=O)c2ccc(OCCCN(C)C)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1cc(nc(n1)S(=O)(=O)C)c2ccc(cc2)OCCCN(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1cc(nc(n1)S(=O)(=O)C)c2ccc(cc2)OCCCN(C)C |
