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

Systemtic Name: 5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: 5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]isophthalate Formula: C20H11N3O4S-2 MolecularWeight: 389.38404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(N=CN=C3S2)NC4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(N=CN=C3S2)NC4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C20H13N3O4S/c24-19(25)12-6-13(20(26)27)8-14(7-12)23-17-15-9-16(11-4-2-1-3-5-11)28-18(15)22-10-21-17/h1-10H,(H,24,25)(H,26,27)(H,21,22,23)/p-2