2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1-ethyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1-ethyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1-ethyl-benzimidazole-5-carboxylic acid CAS Name: 2-[[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-1-ethyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1-ethylbenzimidazole-5-carboxylic acid Traditional Name: 2-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]-1-ethyl-benzimidazole-5-carboxylic acid Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NC=NC4=C3C(=C(S4)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NC=NC4=C3C(=C(S4)C)C

InChI

InChI=1S/C19H18N4O2S2/c1-4-23-14-6-5-12(19(24)25)7-13(14)22-15(23)8-26-17-16-10(2)11(3)27-18(16)21-9-20-17/h5-7,9H,4,8H2,1-3H3,(H,24,25)