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

Systemtic Name: 1-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]cyclopentane-1-carboxylic acid Openeye Name: 1-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]cyclopentanecarboxylic acid CAS Name: 1-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid Traditional Name: 1-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]cyclopentanecarboxylic acid Formula: C12H14ClN3O3S MolecularWeight: 315.77586

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2(CCCC2)C(=O)O)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2(CCCC2)C(=O)O)Cl

InChI

InChI=1S/C12H14ClN3O3S/c1-20-11-14-6-7(13)8(15-11)9(17)16-12(10(18)19)4-2-3-5-12/h6H,2-5H2,1H3,(H,16,17)(H,18,19)