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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)(C(=O)O)NC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC(C1CC1)(C(=O)O)NC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C12H14ClN3O3S/c1-12(10(18)19,6-3-4-6)16-9(17)8-7(13)5-14-11(15-8)20-2/h5-6H,3-4H2,1-2H3,(H,16,17)(H,18,19)