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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)O)N(C)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)O)N(C)C

InChI

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