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

Systemtic Name: 4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(dimethylamino)-6-methyl-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]thio]methyl]benzoate Formula: C15H16N3O2S- MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)[O-])N(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)[O-])N(C)C

InChI

InChI=1S/C15H17N3O2S/c1-10-8-13(18(2)3)17-15(16-10)21-9-11-4-6-12(7-5-11)14(19)20/h4-8H,9H2,1-3H3,(H,19,20)/p-1