VVI
Summary
| Name: | 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[5-bromanyl-6-(hydroxymethyl)-3-methoxy-pyridin-2-yl]urea |
| Formula: | C21 H17 Br Cl2 N6 O4 |
| Formal charge: | 0 |
| Formula weight: | 568.207 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[5-bromanyl-6-(hydroxymethyl)-3-methoxy-pyridin-2-yl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H17BrCl2N6O4/c1-10(19-13(23)7-26-8-14(19)24)34-16-4-18(27-6-11(16)5-25)29-21(32)30-20-17(33-2)3-12(22)15(9-31)28-20/h3-4,6-8,10,31H,9H2,1-2H3,(H2,27,28,29,30,32)/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | QPFZVILXPYACRC-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(Br)c(CO)nc1NC(=O)Nc2cc(O[C@H](C)c3c(Cl)cncc3Cl)c(cn2)C#N |
| SMILES | CACTVS | 3.385 | COc1cc(Br)c(CO)nc1NC(=O)Nc2cc(O[CH](C)c3c(Cl)cncc3Cl)c(cn2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1c(cncc1Cl)Cl)Oc2cc(ncc2C#N)NC(=O)Nc3c(cc(c(n3)CO)Br)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1c(cncc1Cl)Cl)Oc2cc(ncc2C#N)NC(=O)Nc3c(cc(c(n3)CO)Br)OC |
