5-[(6-carboxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(6-carboxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(6-carboxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[(6-carboxy-5-methyl-4-thieno[2,3-d]pyrimidinyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(6-carboxy-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(6-carboxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]isophthalic acid Formula: C16H11N3O6S MolecularWeight: 373.34004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O6S/c1-6-10-12(17-5-18-13(10)26-11(6)16(24)25)19-9-3-7(14(20)21)2-8(4-9)15(22)23/h2-5H,1H3,(H,20,21)(H,22,23)(H,24,25)(H,17,18,19)