3-[(5-cyano-2-methylsulfanyl-6-propyl-pyrimidin-4-yl)amino]propanoic acid

Systemtic Name: 3-[(5-cyano-2-methylsulfanyl-6-propyl-pyrimidin-4-yl)amino]propanoic acid Openeye Name: 3-[(5-cyano-2-methylsulfanyl-6-propyl-pyrimidin-4-yl)amino]propanoic acid CAS Name: 3-[[5-cyano-2-(methylthio)-6-propyl-4-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[(5-cyano-2-methylsulfanyl-6-propylpyrimidin-4-yl)amino]propanoic acid Traditional Name: 3-[[5-cyano-2-(methylthio)-6-propyl-pyrimidin-4-yl]amino]propionic acid Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=N1)SC)NCCC(=O)O)C#N

Isomeric SMILES

CCCC1=C(C(=NC(=N1)SC)NCCC(=O)O)C#N

InChI

InChI=1S/C12H16N4O2S/c1-3-4-9-8(7-13)11(14-6-5-10(17)18)16-12(15-9)19-2/h3-6H2,1-2H3,(H,17,18)(H,14,15,16)