3-[[4-(diethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[4-(diethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-(diethylamino)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C(C)C)SCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C(C)C)SCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C19H25N3O2S/c1-5-22(6-2)17-11-16(13(3)4)20-19(21-17)25-12-14-8-7-9-15(10-14)18(23)24/h7-11,13H,5-6,12H2,1-4H3,(H,23,24)