2-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-5-oxidanyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-5-oxidanyl-pyridine-3-carbonitrile Openeye Name: 2-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]-5-hydroxy-pyridine-3-carbonitrile CAS Name: 2-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-5-hydroxy-3-pyridinecarbonitrile IUPAC Name: 2-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-5-hydroxypyridine-3-carbonitrile Traditional Name: 2-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]-5-hydroxy-nicotinonitrile Formula: C13H19N3O3 MolecularWeight: 265.30826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=NC=C(C=C1C#N)O)O

Isomeric SMILES

CC(C)(C)NC[C@@H](COC1=NC=C(C=C1C#N)O)O

InChI

InChI=1S/C13H19N3O3/c1-13(2,3)16-7-11(18)8-19-12-9(5-14)4-10(17)6-15-12/h4,6,11,16-18H,7-8H2,1-3H3/t11-/m0/s1