methyl 2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylethanoate Openeye Name: methyl 2-(4,6-dimorpholinopyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[4,6-bis(4-morpholinyl)-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimorpholinopyrimidin-2-yl)thio]acetic acid methyl ester Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=CC(=N1)N2CCOCC2)N3CCOCC3

Isomeric SMILES

COC(=O)CSC1=NC(=CC(=N1)N2CCOCC2)N3CCOCC3

InChI

InChI=1S/C15H22N4O4S/c1-21-14(20)11-24-15-16-12(18-2-6-22-7-3-18)10-13(17-15)19-4-8-23-9-5-19/h10H,2-9,11H2,1H3