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

Systemtic Name: 5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: 5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]isophthalate Formula: C16H11N3O4S-2 MolecularWeight: 341.34124

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4S/c1-7-8(2)24-14-12(7)13(17-6-18-14)19-11-4-9(15(20)21)3-10(5-11)16(22)23/h3-6H,1-2H3,(H,20,21)(H,22,23)(H,17,18,19)/p-2