5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: 5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]isophthalate Formula: C17H13N3O4S-2 MolecularWeight: 355.36782

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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)C

Isomeric SMILES

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

InChI

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