methyl 1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl 1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpyrrolidine-2-carboxylate Openeye Name: methyl 1-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C12H14ClN3O3S MolecularWeight: 315.77586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

COC(=O)C1CCCN1C(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C12H14ClN3O3S/c1-19-11(18)8-4-3-5-16(8)10(17)9-7(13)6-14-12(15-9)20-2/h6,8H,3-5H2,1-2H3