6-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]hexanoic acid

Systemtic Name: 6-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]hexanoic acid Openeye Name: 6-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]hexanoic acid CAS Name: 6-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]hexanoic acid Traditional Name: 6-[[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:

CSC1=NC=C(C(=N1)C(=O)NCCCCCC(=O)O)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCCCCCC(=O)O)Cl

InChI

InChI=1S/C12H16ClN3O3S/c1-20-12-15-7-8(13)10(16-12)11(19)14-6-4-2-3-5-9(17)18/h7H,2-6H2,1H3,(H,14,19)(H,17,18)