ethyl 6-(pyrimidin-2-ylcarbamothioylamino)hexanoate

Systemtic Name: ethyl 6-(pyrimidin-2-ylcarbamothioylamino)hexanoate Openeye Name: ethyl 6-(pyrimidin-2-ylcarbamothioylamino)hexanoate CAS Name: 6-[[(2-pyrimidinylamino)-sulfanylidenemethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-(pyrimidin-2-ylcarbamothioylamino)hexanoate Traditional Name: 6-(2-pyrimidylthiocarbamoylamino)hexanoic acid ethyl ester Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCNC(=S)NC1=NC=CC=N1

Isomeric SMILES

CCOC(=O)CCCCCNC(=S)NC1=NC=CC=N1

InChI

InChI=1S/C13H20N4O2S/c1-2-19-11(18)7-4-3-5-8-16-13(20)17-12-14-9-6-10-15-12/h6,9-10H,2-5,7-8H2,1H3,(H2,14,15,16,17,20)