4-[(4,5-dimethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(4,5-dimethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(4,5-dimethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[4,5-dimethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 4-[(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4,5-dimethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]benzoate Formula: C18H20N3O3S- MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCOCC2)SCC3=CC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCOCC2)SCC3=CC=C(C=C3)C(=O)[O-])C

InChI

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