R3J
Summary
| Name: | benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate |
| Formula: | C24 H27 N5 O6 |
| Formal charge: | 0 |
| Formula weight: | 481.501 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate |
| OpenEye OEToolkits | 2.0.7 | (phenylmethyl) ~{N}-[2-[4-[2-(2-methoxypyridin-4-yl)ethylcarbamoyl]-5-oxidanyl-6-oxidanylidene-1~{H}-pyrimidin-2-yl]propan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2(=O)C(=C(C(NCCc1cc(OC)ncc1)=O)N=C(N2)C(NC(OCc3ccccc3)=O)(C)C)O |
| InChI | InChI | 1.03 | InChI=1S/C24H27N5O6/c1-24(2,29-23(33)35-14-16-7-5-4-6-8-16)22-27-18(19(30)21(32)28-22)20(31)26-12-10-15-9-11-25-17(13-15)34-3/h4-9,11,13,30H,10,12,14H2,1-3H3,(H,26,31)(H,29,33)(H,27,28,32) |
| InChIKey | InChI | 1.03 | FTJIBWRYBXLDQU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)C(C)(C)NC(=O)OCc3ccccc3)ccn1 |
| SMILES | CACTVS | 3.385 | COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)C(C)(C)NC(=O)OCc3ccccc3)ccn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCc2ccnc(c2)OC)NC(=O)OCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCc2ccnc(c2)OC)NC(=O)OCc3ccccc3 |
