PDB CCD ID: | 0E1 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C12 H14 N2 O2 |
InChI: | 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: | GVUFLWNXLIHNNK-LLVKDONJSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.6 | CC(C)C1Cc2c(cc(c(n2)O)C#N)CO1 | ACDLabs 12.01 | N#Cc1cc2c(nc1O)CC(OC2)C(C)C | OpenEye OEToolkits 1.7.6 | CC(C)[C@H]1Cc2c(cc(c(n2)O)C#N)CO1 | CACTVS 3.370 | CC(C)[C@H]1Cc2nc(O)c(cc2CO1)C#N | CACTVS 3.370 | CC(C)[CH]1Cc2nc(O)c(cc2CO1)C#N |
|
Name: | (7R)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile |
ZINC: | ZINC000009007567 |