4-(butylamino)-2-(2-oxidanylpropoxy)pyridine-3-carbonitrile hydrochloride

Systemtic Name: 4-(butylamino)-2-(2-oxidanylpropoxy)pyridine-3-carbonitrile hydrochloride Openeye Name: 4-(butylamino)-2-(2-hydroxypropoxy)pyridine-3-carbonitrile hydrochloride CAS Name: 4-(butylamino)-2-(2-hydroxypropoxy)-3-pyridinecarbonitrile hydrochloride IUPAC Name: 4-(butylamino)-2-(2-hydroxypropoxy)pyridine-3-carbonitrile hydrochloride Traditional Name: 4-(butylamino)-2-(2-hydroxypropoxy)nicotinonitrile hydrochloride Formula: C13H20ClN3O2 MolecularWeight: 285.7698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=C1)OCC(C)O)C#N.Cl

Isomeric SMILES

CCCCNC1=C(C(=NC=C1)OCC(C)O)C#N.Cl

InChI

InChI=1S/C13H19N3O2.ClH/c1-3-4-6-15-12-5-7-16-13(11(12)8-14)18-9-10(2)17;/h5,7,10,17H,3-4,6,9H2,1-2H3,(H,15,16);1H