P0B
Summary
| Name: | 6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione |
| Formula: | C13 H13 Cl F N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 297.713 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H13ClFN3O2/c1-18(6-8-5-12(19)17-13(20)16-8)7-9-10(14)3-2-4-11(9)15/h2-5H,6-7H2,1H3,(H2,16,17,19,20) |
| InChIKey | InChI | 1.03 | WRXCNKOWDSUZRN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CC1=CC(=O)NC(=O)N1)Cc2c(F)cccc2Cl |
| SMILES | CACTVS | 3.385 | CN(CC1=CC(=O)NC(=O)N1)Cc2c(F)cccc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(Cc1c(cccc1Cl)F)CC2=CC(=O)NC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(Cc1c(cccc1Cl)F)CC2=CC(=O)NC(=O)N2 |
