YEJ
Summary
| Name: | 8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one |
| Formula: | C20 H28 N4 O4 S |
| Formal charge: | 0 |
| Formula weight: | 420.526 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H28N4O4S/c1-13-10-15-2-7-22-19(18(15)24-20(13)25)23-16-3-6-21-11-17(16)28-12-14-4-8-29(26,27)9-5-14/h2,7,10,14,16-17,21H,3-6,8-9,11-12H2,1H3,(H,22,23)(H,24,25)/t16-,17-/m1/s1 |
| InChIKey | InChI | 1.03 | IMRGYBMGTASFSC-IAGOWNOFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=Cc2ccnc(N[C@@H]3CCNC[C@H]3OCC4CC[S](=O)(=O)CC4)c2NC1=O |
| SMILES | CACTVS | 3.385 | CC1=Cc2ccnc(N[CH]3CCNC[CH]3OCC4CC[S](=O)(=O)CC4)c2NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCS(=O)(=O)CC4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=Cc2ccnc(c2NC1=O)NC3CCNCC3OCC4CCS(=O)(=O)CC4 |
