2-azanyl-2-(2-pyrimidin-2-ylpropanethioyl)hexanoic acid

Systemtic Name: 2-azanyl-2-(2-pyrimidin-2-ylpropanethioyl)hexanoic acid Openeye Name: 2-amino-2-(2-pyrimidin-2-ylpropanethioyl)hexanoic acid CAS Name: 2-amino-2-[2-(2-pyrimidinyl)-1-sulfanylidenepropyl]hexanoic acid IUPAC Name: 2-amino-2-(2-pyrimidin-2-ylpropanethioyl)hexanoic acid Traditional Name: 2-amino-2-[2-(2-pyrimidyl)propanethioyl]hexanoic acid Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=S)C(C)C1=NC=CC=N1)(C(=O)O)N

Isomeric SMILES

CCCCC(C(=S)C(C)C1=NC=CC=N1)(C(=O)O)N

InChI

InChI=1S/C13H19N3O2S/c1-3-4-6-13(14,12(17)18)10(19)9(2)11-15-7-5-8-16-11/h5,7-9H,3-4,6,14H2,1-2H3,(H,17,18)