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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)C(C3=CC=C(C=C3)C(=O)O)S)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)C(C3=CC=C(C=C3)C(=O)O)S)C

InChI

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