U8Y
Summary
| Name: | 3-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid |
| Formula: | C20 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 348.398 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H20N4O2/c1-2-17-16(18(21)24-20(22)23-17)10-12-5-3-6-13(9-12)14-7-4-8-15(11-14)19(25)26/h3-9,11H,2,10H2,1H3,(H,25,26)(H4,21,22,23,24) |
| InChIKey | InChI | 1.06 | KNRZVDGLNIKBGJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1nc(N)nc(N)c1Cc2cccc(c2)c3cccc(c3)C(O)=O |
| SMILES | CACTVS | 3.385 | CCc1nc(N)nc(N)c1Cc2cccc(c2)c3cccc(c3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c(nc(n1)N)N)Cc2cccc(c2)c3cccc(c3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c(nc(n1)N)N)Cc2cccc(c2)c3cccc(c3)C(=O)O |
