(phenylmethyl) 2-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-(4-methyl-6-morpholino-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-6-morpholino-pyrimidin-2-yl)thio]acetic acid benzyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C18H21N3O3S/c1-14-11-16(21-7-9-23-10-8-21)20-18(19-14)25-13-17(22)24-12-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3