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

Systemtic Name: 3-[[4-(dimethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-(dimethylamino)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-(dimethylamino)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-(dimethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-(dimethylamino)-6-isopropyl-pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C17H21N3O2S MolecularWeight: 331.43254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S/c1-11(2)14-9-15(20(3)4)19-17(18-14)23-10-12-6-5-7-13(8-12)16(21)22/h5-9,11H,10H2,1-4H3,(H,21,22)