4-[[4-(methoxymethyl)-6-morpholin-4-yl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[4-(methoxymethyl)-6-morpholin-4-yl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[4-(methoxymethyl)-6-morpholino-pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-(methoxymethyl)-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 4-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-(methoxymethyl)-6-morpholino-pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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