3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoate

Systemtic Name: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoate IUPAC Name: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]benzoate Formula: C16H13N2O2S2- MolecularWeight: 329.41662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC3=CC=CC(=C3)C(=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC3=CC=CC(=C3)C(=O)[O-])C

InChI

InChI=1S/C16H14N2O2S2/c1-9-10(2)22-15-13(9)14(17-8-18-15)21-7-11-4-3-5-12(6-11)16(19)20/h3-6,8H,7H2,1-2H3,(H,19,20)/p-1