3-[[4-(methoxymethyl)-6-morpholin-4-yl-pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[4-(methoxymethyl)-6-morpholin-4-yl-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4-(methoxymethyl)-6-morpholino-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-(methoxymethyl)-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 3-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-(methoxymethyl)-6-morpholino-pyrimidin-2-yl]thio]methyl]benzoate Formula: C18H20N3O4S- MolecularWeight: 374.4341

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)[O-])N3CCOCC3

Isomeric SMILES

COCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)[O-])N3CCOCC3

InChI

InChI=1S/C18H21N3O4S/c1-24-11-15-10-16(21-5-7-25-8-6-21)20-18(19-15)26-12-13-3-2-4-14(9-13)17(22)23/h2-4,9-10H,5-8,11-12H2,1H3,(H,22,23)/p-1