[4-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]pyrazol-1-yl]methyl ester Formula: C15H18ClN5O3S MolecularWeight: 383.85312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C15H18ClN5O3S/c1-15(2,3)13(23)24-8-21-7-9(5-18-21)19-12(22)11-10(16)6-17-14(20-11)25-4/h5-7H,8H2,1-4H3,(H,19,22)