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

Systemtic Name: 4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoic acid IUPAC Name: 4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]benzoic acid Formula: C17H16N2O2S2 MolecularWeight: 344.45114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O2S2/c1-9-10(2)23-16-14(9)15(18-11(3)19-16)22-8-12-4-6-13(7-5-12)17(20)21/h4-7H,8H2,1-3H3,(H,20,21)