1-adamantyl 2-[(4-methoxy-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: 1-adamantyl 2-[(4-methoxy-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: 1-adamantyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)thio]acetic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-keto-4-methoxy-1H-pyrimidin-2-yl)thio]acetic acid 1-adamantyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)NC(=N1)SCC(=O)OC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC(=O)NC(=N1)SCC(=O)OC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H22N2O4S/c1-22-14-5-13(20)18-16(19-14)24-9-15(21)23-17-6-10-2-11(7-17)4-12(3-10)8-17/h5,10-12H,2-4,6-9H2,1H3,(H,18,19,20)