SE9
Summary
| Name: | (2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide |
| Formula: | C20 H17 F3 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 434.369 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(2-methoxypyridin-4-yl)ethyl]-5-oxidanyl-6-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{H}-pyrimidine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1=C(N=C(NC1=O)c1cccc(c1)C(F)(F)F)C(=O)NCCc1ccnc(OC)c1 |
| InChI | InChI | 1.06 | InChI=1S/C20H17F3N4O4/c1-31-14-9-11(5-7-24-14)6-8-25-18(29)15-16(28)19(30)27-17(26-15)12-3-2-4-13(10-12)20(21,22)23/h2-5,7,9-10,28H,6,8H2,1H3,(H,25,29)(H,26,27,30) |
| InChIKey | InChI | 1.06 | CJUKCSPPUSTPJP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)c3cccc(c3)C(F)(F)F)ccn1 |
| SMILES | CACTVS | 3.385 | COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)c3cccc(c3)C(F)(F)F)ccn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccn1)CCNC(=O)C2=C(C(=O)NC(=N2)c3cccc(c3)C(F)(F)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccn1)CCNC(=O)C2=C(C(=O)NC(=N2)c3cccc(c3)C(F)(F)F)O |
