0CP
Summary
| Name: | 5-{3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1H)-one |
| Formula: | C18 H24 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 316.395 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 5-[3-[[(1R,4S,5S)-5-bicyclo[2.2.1]heptanyl]oxy]-4-methoxy-phenyl]-1,3-diazinan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc(cc1O[C@H]2C[C@@H]3CC[C@H]2C3)C4CNC(=O)NC4 |
| SMILES | CACTVS | 3.352 | COc1ccc(cc1O[CH]2C[CH]3CC[CH]2C3)C4CNC(=O)NC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1O[C@H]2C[C@@H]3CC[C@H]2C3)C4CNC(=O)NC4 |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1OC2CC3CCC2C3)C4CNC(=O)NC4 |
| InChI | InChI | 1.03 | InChI=1S/C18H24N2O3/c1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11/h4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21)/t11-,13+,16+/m1/s1 |
| InChIKey | InChI | 1.03 | LITNEAPWQHVPOK-FFSVYQOJSA-N |
