phenacyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: phenacyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: phenacyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid phenacyl ester Formula: C14H11ClN2O3S MolecularWeight: 322.76674

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)OCC(=O)C2=CC=CC=C2)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)OCC(=O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C14H11ClN2O3S/c1-21-14-16-7-10(15)12(17-14)13(19)20-8-11(18)9-5-3-2-4-6-9/h2-7H,8H2,1H3