2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]-3,3-dimethyl-butyric acid Formula: C12H16ClN3O3S MolecularWeight: 317.79174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN3O3S/c1-12(2,3)8(10(18)19)16-9(17)7-6(13)5-14-11(15-7)20-4/h5,8H,1-4H3,(H,16,17)(H,18,19)