MMV
Summary
| Name: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid |
| Formula: | C18 H24 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 360.408 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid |
| OpenEye OEToolkits | 1.7.6 | 3-[2-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCc2ccccc2OCCCOc1c(nc(nc1CC)N)N |
| InChI | InChI | 1.03 | InChI=1S/C18H24N4O4/c1-2-13-16(17(19)22-18(20)21-13)26-11-5-10-25-14-7-4-3-6-12(14)8-9-15(23)24/h3-4,6-7H,2,5,8-11H2,1H3,(H,23,24)(H4,19,20,21,22) |
| InChIKey | InChI | 1.03 | VDGXZSSDCDPCRF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(O)=O |
| SMILES | CACTVS | 3.370 | CCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)O |
