tert-butyl 2-(3-pyrimidin-2-ylpropanethioylamino)hexanoate

Systemtic Name: tert-butyl 2-(3-pyrimidin-2-ylpropanethioylamino)hexanoate Openeye Name: tert-butyl 2-(3-pyrimidin-2-ylpropanethioylamino)hexanoate CAS Name: 2-[[3-(2-pyrimidinyl)-1-sulfanylidenepropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-pyrimidin-2-ylpropanethioylamino)hexanoate Traditional Name: 2-[3-(2-pyrimidyl)propanethioylamino]hexanoic acid tert-butyl ester Formula: C17H27N3O2S MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(=S)CCC1=NC=CC=N1

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)NC(=S)CCC1=NC=CC=N1

InChI

InChI=1S/C17H27N3O2S/c1-5-6-8-13(16(21)22-17(2,3)4)20-15(23)10-9-14-18-11-7-12-19-14/h7,11-13H,5-6,8-10H2,1-4H3,(H,20,23)