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

Systemtic Name: 5-[(6-methoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(6-methoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[(6-methoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(6-methoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(6-carbomethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]isophthalic acid Formula: C17H13N3O6S MolecularWeight: 387.36662

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O6S/c1-7-11-13(18-6-19-14(11)27-12(7)17(25)26-2)20-10-4-8(15(21)22)3-9(5-10)16(23)24/h3-6H,1-2H3,(H,21,22)(H,23,24)(H,18,19,20)