3-[(2-cyanopyrimidin-5-yl)carbamothioylamino]propanoic acid

Systemtic Name: 3-[(2-cyanopyrimidin-5-yl)carbamothioylamino]propanoic acid Openeye Name: 3-[(2-cyanopyrimidin-5-yl)carbamothioylamino]propanoic acid CAS Name: 3-[[[(2-cyano-5-pyrimidinyl)amino]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[(2-cyanopyrimidin-5-yl)carbamothioylamino]propanoic acid Traditional Name: 3-[(2-cyanopyrimidin-5-yl)thiocarbamoylamino]propionic acid Formula: C9H9N5O2S MolecularWeight: 251.26506

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC(=N1)C#N)NC(=S)NCCC(=O)O

Isomeric SMILES

C1=C(C=NC(=N1)C#N)NC(=S)NCCC(=O)O

InChI

InChI=1S/C9H9N5O2S/c10-3-7-12-4-6(5-13-7)14-9(17)11-2-1-8(15)16/h4-5H,1-2H2,(H,15,16)(H2,11,14,17)