1-adamantyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: 1-adamantyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: 1-adamantyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid 1-adamantyl ester Formula: C16H19ClN2O2S MolecularWeight: 338.85226

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)OC23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)OC23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C16H19ClN2O2S/c1-22-15-18-8-12(17)13(19-15)14(20)21-16-5-9-2-10(6-16)4-11(3-9)7-16/h8-11H,2-7H2,1H3