CQ6
Summary
| Name: | 7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine |
| Formula: | C14 H22 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 326.414 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H22N4O3S/c1-2-22(19,20)18-6-3-11-9-15-14(17-13(11)10-18)16-12-4-7-21-8-5-12/h9,12H,2-8,10H2,1H3,(H,15,16,17) |
| InChIKey | InChI | 1.03 | IYULUKZVVYXBLY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1 |
| SMILES | CACTVS | 3.385 | CC[S](=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCS(=O)(=O)N1CCc2cnc(nc2C1)NC3CCOCC3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCS(=O)(=O)N1CCc2cnc(nc2C1)NC3CCOCC3 |
