0E1
Summary
| Name: | (7R)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile |
| Formula: | C12 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 218.252 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (7R)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile |
| OpenEye OEToolkits | 1.7.6 | (7R)-2-oxidanyl-7-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1cc2c(nc1O)CC(OC2)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2O2/c1-7(2)11-4-10-9(6-16-11)3-8(5-13)12(15)14-10/h3,7,11H,4,6H2,1-2H3,(H,14,15)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | GVUFLWNXLIHNNK-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)[C@H]1Cc2nc(O)c(cc2CO1)C#N |
| SMILES | CACTVS | 3.370 | CC(C)[CH]1Cc2nc(O)c(cc2CO1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)[C@H]1Cc2c(cc(c(n2)O)C#N)CO1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)C1Cc2c(cc(c(n2)O)C#N)CO1 |
