1,2-dimethyl-6-(2-pyrimidin-5-ylthieno[3,2-b]pyridin-7-yl)oxy-indole-3-carboxylic acid

Systemtic Name: 1,2-dimethyl-6-(2-pyrimidin-5-ylthieno[3,2-b]pyridin-7-yl)oxy-indole-3-carboxylic acid Openeye Name: 1,2-dimethyl-6-(2-pyrimidin-5-ylthieno[3,2-b]pyridin-7-yl)oxy-indole-3-carboxylic acid CAS Name: 1,2-dimethyl-6-[[2-(5-pyrimidinyl)-7-thieno[3,2-b]pyridinyl]oxy]-3-indolecarboxylic acid IUPAC Name: 1,2-dimethyl-6-(2-pyrimidin-5-ylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxylic acid Traditional Name: 1,2-dimethyl-6-[2-(5-pyrimidyl)thieno[3,2-b]pyridin-7-yl]oxy-indole-3-carboxylic acid Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C=C(C=C2)OC3=C4C(=NC=C3)C=C(S4)C5=CN=CN=C5)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C)C=C(C=C2)OC3=C4C(=NC=C3)C=C(S4)C5=CN=CN=C5)C(=O)O

InChI

InChI=1S/C22H16N4O3S/c1-12-20(22(27)28)15-4-3-14(7-17(15)26(12)2)29-18-5-6-25-16-8-19(30-21(16)18)13-9-23-11-24-10-13/h3-11H,1-2H3,(H,27,28)