5-methyl-4-[[4-(pyridin-4-ylmethyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-[[4-(pyridin-4-ylmethyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-[4-(4-pyridylmethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-[4-(pyridin-4-ylmethyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-4-[4-(pyridin-4-ylmethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 5-methyl-4-[4-(4-pyridylmethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)CC4=CC=NC=C4)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)CC4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C20H16N4O2S/c1-12-16-18(22-11-23-19(16)27-17(12)20(25)26)24-15-4-2-13(3-5-15)10-14-6-8-21-9-7-14/h2-9,11H,10H2,1H3,(H,25,26)(H,22,23,24)