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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c1-2-11-6-12-13(17-7-18-14(12)24-11)19-10-4-8(15(20)21)3-9(5-10)16(22)23/h3-7H,2H2,1H3,(H,20,21)(H,22,23)(H,17,18,19)/p-2