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

Systemtic Name: 5-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[(6-ethyl-2-methyl-4-thieno[2,3-d]pyrimidinyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]isophthalic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C17H15N3O4S/c1-3-12-7-13-14(18-8(2)19-15(13)25-12)20-11-5-9(16(21)22)4-10(6-11)17(23)24/h4-7H,3H2,1-2H3,(H,21,22)(H,23,24)(H,18,19,20)