KVJ
Summary
| Name: | (4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one |
| Formula: | C18 H20 F3 N7 O4 |
| Formal charge: | 0 |
| Formula weight: | 455.391 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one |
| OpenEye OEToolkits | 2.0.7 | (4~{S},5~{R})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1nc(N)ncc1c1nc(nc(c1)N1C(=O)OC(C)C1CO)N1CCOCC1 |
| InChI | InChI | 1.03 | InChI=1S/C18H20F3N7O4/c1-9-12(8-29)28(17(30)32-9)13-6-11(24-16(25-13)27-2-4-31-5-3-27)10-7-23-15(22)26-14(10)18(19,20)21/h6-7,9,12,29H,2-5,8H2,1H3,(H2,22,23,26)/t9-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | IEYOHYVYEJVEJJ-SKDRFNHKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1OC(=O)N([C@H]1CO)c2cc(nc(n2)N3CCOCC3)c4cnc(N)nc4C(F)(F)F |
| SMILES | CACTVS | 3.385 | C[CH]1OC(=O)N([CH]1CO)c2cc(nc(n2)N3CCOCC3)c4cnc(N)nc4C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1[C@@H](N(C(=O)O1)c2cc(nc(n2)N3CCOCC3)c4cnc(nc4C(F)(F)F)N)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(N(C(=O)O1)c2cc(nc(n2)N3CCOCC3)c4cnc(nc4C(F)(F)F)N)CO |
