C9B
Summary
| Name: | (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine |
| Formula: | C16 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 280.324 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H16N4O/c1-2-4-12(5-3-1)15-11-21-9-8-20(15)14-6-7-17-16-13(14)10-18-19-16/h1-7,10,15H,8-9,11H2,(H,17,18,19)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | SHOIDMMLBCSHEP-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CN([C@H](CO1)c2ccccc2)c3ccnc4n[nH]cc34 |
| SMILES | CACTVS | 3.385 | C1CN([CH](CO1)c2ccccc2)c3ccnc4n[nH]cc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)[C@H]2COCCN2c3ccnc4c3c[nH]n4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C2COCCN2c3ccnc4c3c[nH]n4 |
