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

Systemtic Name: 5-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: 5-[[5-(4-isopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-p-cumenylthieno[2,3-d]pyrimidin-4-yl)amino]isophthalate Formula: C23H17N3O4S-2 MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O4S/c1-12(2)13-3-5-14(6-4-13)18-10-31-21-19(18)20(24-11-25-21)26-17-8-15(22(27)28)7-16(9-17)23(29)30/h3-12H,1-2H3,(H,27,28)(H,29,30)(H,24,25,26)/p-2