[2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C18H21ClN2O3S/c1-25-17-20-8-13(19)15(21-17)16(23)24-9-14(22)18-5-10-2-11(6-18)4-12(3-10)7-18/h8,10-12H,2-7,9H2,1H3