1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonyl-4-methoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonyl-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: 1-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]-4-methoxy-proline Formula: C12H14ClN3O4S MolecularWeight: 331.77526

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)C2=NC(=NC=C2Cl)SC)C(=O)O

Isomeric SMILES

COC1CC(N(C1)C(=O)C2=NC(=NC=C2Cl)SC)C(=O)O

InChI

InChI=1S/C12H14ClN3O4S/c1-20-6-3-8(11(18)19)16(5-6)10(17)9-7(13)4-14-12(15-9)21-2/h4,6,8H,3,5H2,1-2H3,(H,18,19)