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

Systemtic Name: 4-[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-(diethylamino)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 4-[[4-(diethylamino)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1C)C)SCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1C)C)SCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H23N3O2S/c1-5-21(6-2)16-12(3)13(4)19-18(20-16)24-11-14-7-9-15(10-8-14)17(22)23/h7-10H,5-6,11H2,1-4H3,(H,22,23)