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

Systemtic Name: 5-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: 5-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]isophthalate Formula: C21H13N3O4S-2 MolecularWeight: 403.41062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H15N3O4S/c1-11-2-4-12(5-3-11)16-9-29-19-17(16)18(22-10-23-19)24-15-7-13(20(25)26)6-14(8-15)21(27)28/h2-10H,1H3,(H,25,26)(H,27,28)(H,22,23,24)/p-2