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

Systemtic Name: 4-[(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(4-methyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-methyl-6-morpholino-pyrimidin-2-yl)thio]methyl]benzoate Formula: C17H18N3O3S- MolecularWeight: 344.40812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)[O-])N3CCOCC3

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)[O-])N3CCOCC3

InChI

InChI=1S/C17H19N3O3S/c1-12-10-15(20-6-8-23-9-7-20)19-17(18-12)24-11-13-2-4-14(5-3-13)16(21)22/h2-5,10H,6-9,11H2,1H3,(H,21,22)/p-1