1-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]cyclohexanecarboxylic acid CAS Name: 1-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]cyclohexanecarboxylic acid Formula: C13H16ClN3O3S MolecularWeight: 329.80244

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2(CCCCC2)C(=O)O)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2(CCCCC2)C(=O)O)Cl

InChI

InChI=1S/C13H16ClN3O3S/c1-21-12-15-7-8(14)9(16-12)10(18)17-13(11(19)20)5-3-2-4-6-13/h7H,2-6H2,1H3,(H,17,18)(H,19,20)