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

Systemtic Name: 4-[(4-morpholin-4-yl-6-propan-2-yl-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(4-isopropyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-(4-morpholinyl)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 4-[(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-isopropyl-6-morpholino-pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)O)N3CCOCC3

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)O)N3CCOCC3

InChI

InChI=1S/C19H23N3O3S/c1-13(2)16-11-17(22-7-9-25-10-8-22)21-19(20-16)26-12-14-3-5-15(6-4-14)18(23)24/h3-6,11,13H,7-10,12H2,1-2H3,(H,23,24)