3-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 3-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]benzoate Formula: C16H17ClN3O2S- MolecularWeight: 350.84308

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)[O-])Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)[O-])Cl

InChI

InChI=1S/C16H18ClN3O2S/c1-3-20(4-2)14-9-13(17)18-16(19-14)23-10-11-6-5-7-12(8-11)15(21)22/h5-9H,3-4,10H2,1-2H3,(H,21,22)/p-1