ethyl 4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)piperazine-1-carboxylate CAS Name: 4-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperazine-1-carboxylate Traditional Name: 4-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C13H17ClN4O3S MolecularWeight: 344.81708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C13H17ClN4O3S/c1-3-21-13(20)18-6-4-17(5-7-18)11(19)10-9(14)8-15-12(16-10)22-2/h8H,3-7H2,1-2H3