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

Systemtic Name: 4-[(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(4-methyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-methyl-6-morpholino-pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C17H19N3O3S MolecularWeight: 345.41606

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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)