A1H2J
Summary
| Name: | 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione |
| Formula: | C16 H14 Cl2 N6 O4 |
| Formal charge: | 0 |
| Formula weight: | 425.226 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H14Cl2N6O4/c1-6(2)8-5-11(21-22-14(8)25)28-12-9(17)3-7(4-10(12)18)24-16(27)20-15(26)13(19)23-24/h3-6H,1-2H3,(H2,19,23)(H,22,25)(H,20,26,27) |
| InChIKey | InChI | 1.06 | YZZBNKVFMULQCU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C1=CC(=NNC1=O)Oc2c(Cl)cc(cc2Cl)N3N=C(N)C(=O)NC3=O |
| SMILES | CACTVS | 3.385 | CC(C)C1=CC(=NNC1=O)Oc2c(Cl)cc(cc2Cl)N3N=C(N)C(=O)NC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C1=CC(=NNC1=O)Oc2c(cc(cc2Cl)N3C(=O)NC(=O)C(=N3)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C1=CC(=NNC1=O)Oc2c(cc(cc2Cl)N3C(=O)NC(=O)C(=N3)N)Cl |
