3-[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-(dimethylamino)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N(C)C)SCC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=C(N=C(N=C1N(C)C)SCC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C16H19N3O2S/c1-10-11(2)17-16(18-14(10)19(3)4)22-9-12-6-5-7-13(8-12)15(20)21/h5-8H,9H2,1-4H3,(H,20,21)