NW9
Summary
| Name: | 6-[(R)-[(2R,6R)-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(furan-2-ylmethyl)-1,5-dimethyl-quinazoline-2,4-dione |
| Formula: | C22 H26 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 414.452 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[(~{R})-[(2~{R},6~{R})-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(furan-2-ylmethyl)-1,5-dimethyl-quinazoline-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H26N2O6/c1-12-14(20(27)19-16(25)6-3-7-17(19)26)8-9-15-18(12)21(28)24(22(29)23(15)2)11-13-5-4-10-30-13/h4-5,8-10,16-17,19-20,25-27H,3,6-7,11H2,1-2H3/t16-,17-,20+/m1/s1 |
| InChIKey | InChI | 1.06 | CYBBVYSDLXTTAV-HLIPFELVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(Cc2occc2)C(=O)c3c(C)c(ccc13)[C@H](O)C4[C@H](O)CCC[C@H]4O |
| SMILES | CACTVS | 3.385 | CN1C(=O)N(Cc2occc2)C(=O)c3c(C)c(ccc13)[CH](O)C4[CH](O)CCC[CH]4O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1C(=O)N(C(=O)N2C)Cc3ccco3)[C@@H](C4[C@@H](CCC[C@H]4O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1C(=O)N(C(=O)N2C)Cc3ccco3)C(C4C(CCCC4O)O)O |
