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

Systemtic Name: 3-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-chloro-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]benzoate Formula: C14H13ClN3O2S- MolecularWeight: 322.78992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O2S/c1-18(2)12-7-11(15)16-14(17-12)21-8-9-4-3-5-10(6-9)13(19)20/h3-7H,8H2,1-2H3,(H,19,20)/p-1