P3Z
Summary
| Name: | (S)-cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol |
| Formula: | C15 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 256.3 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (S)-cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol |
| OpenEye OEToolkits | 1.7.0 | (S)-cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-yl-methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(c1cncnc1)(c2ccc(OC)cc2)C3CC3 |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1)[C@@](O)(C2CC2)c3cncnc3 |
| SMILES | CACTVS | 3.370 | COc1ccc(cc1)[C](O)(C2CC2)c3cncnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1)[C@](c2cncnc2)(C3CC3)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1)C(c2cncnc2)(C3CC3)O |
| InChI | InChI | 1.03 | InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | HUTDUHSNJYTCAR-HNNXBMFYSA-N |
