GY5
Summary
| Name: | 5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide |
| Synonyms: | SRI-29685 |
| Formula: | C20 H24 N4 O6 |
| Formal charge: | 0 |
| Formula weight: | 416.428 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(2-methoxyethyl)-5-oxidanyl-6-oxidanylidene-2-[(2~{S})-1-(2-phenoxyethanoyl)pyrrolidin-2-yl]-1~{H}-pyrimidine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(CCCC1C2=NC(C(NCCOC)=O)=C(C(N2)=O)O)C(=O)COc3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C20H24N4O6/c1-29-11-9-21-19(27)16-17(26)20(28)23-18(22-16)14-8-5-10-24(14)15(25)12-30-13-6-3-2-4-7-13/h2-4,6-7,14,26H,5,8-12H2,1H3,(H,21,27)(H,22,23,28)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | QXPINDFCNAGJSF-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCNC(=O)C1=C(O)C(=O)NC(=N1)[C@@H]2CCCN2C(=O)COc3ccccc3 |
| SMILES | CACTVS | 3.385 | COCCNC(=O)C1=C(O)C(=O)NC(=N1)[CH]2CCCN2C(=O)COc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COCCNC(=O)C1=C(C(=O)NC(=N1)[C@@H]2CCCN2C(=O)COc3ccccc3)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COCCNC(=O)C1=C(C(=O)NC(=N1)C2CCCN2C(=O)COc3ccccc3)O |
