W5V
Summary
| Name: | 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide |
| Formula: | C19 H16 F2 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 402.352 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 2-[2,6-bis(fluoranyl)phenyl]-~{N}-[2-(2-methoxypyridin-4-yl)ethyl]-5-oxidanyl-4-oxidanylidene-1~{H}-pyrimidine-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2(=C(C(=O)N=C(c1c(F)cccc1F)N2)O)C(=O)NCCc3cc(OC)ncc3 |
| InChI | InChI | 1.03 | InChI=1S/C19H16F2N4O4/c1-29-13-9-10(5-7-22-13)6-8-23-18(27)15-16(26)19(28)25-17(24-15)14-11(20)3-2-4-12(14)21/h2-5,7,9,26H,6,8H2,1H3,(H,23,27)(H,24,25,28) |
| InChIKey | InChI | 1.03 | PXMDINKIDXMYND-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CCNC(=O)C2=C(O)C(=O)N=C(N2)c3c(F)cccc3F)ccn1 |
| SMILES | CACTVS | 3.385 | COc1cc(CCNC(=O)C2=C(O)C(=O)N=C(N2)c3c(F)cccc3F)ccn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccn1)CCNC(=O)C2=C(C(=O)N=C(N2)c3c(cccc3F)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccn1)CCNC(=O)C2=C(C(=O)N=C(N2)c3c(cccc3F)F)O |
