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

Systemtic Name: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoic acid IUPAC Name: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]benzoic acid Formula: C16H14N2O2S2 MolecularWeight: 330.42456

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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)