2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]hexanoic acid

Systemtic Name: 2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]hexanoic acid Openeye Name: 2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]hexanoic acid CAS Name: 2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]hexanoic acid Traditional Name: 2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]hexanoic acid Formula: C12H16ClN3O3S MolecularWeight: 317.79174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1=NC(=NC=C1Cl)SC

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C1=NC(=NC=C1Cl)SC

InChI

InChI=1S/C12H16ClN3O3S/c1-3-4-5-8(11(18)19)15-10(17)9-7(13)6-14-12(16-9)20-2/h6,8H,3-5H2,1-2H3,(H,15,17)(H,18,19)