4-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(4-ethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[4-ethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 4-[(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-ethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]benzoate Formula: C18H20N3O3S- MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)[O-])N3CCOCC3

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)[O-])N3CCOCC3

InChI

InChI=1S/C18H21N3O3S/c1-2-15-11-16(21-7-9-24-10-8-21)20-18(19-15)25-12-13-3-5-14(6-4-13)17(22)23/h3-6,11H,2,7-10,12H2,1H3,(H,22,23)/p-1