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

Systemtic Name: dimethyl 5-[(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(2,6-diphenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2,6-diphenylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C28H21N3O4S MolecularWeight: 495.54904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C3C=C(SC3=NC(=N2)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C3C=C(SC3=NC(=N2)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C28H21N3O4S/c1-34-27(32)19-13-20(28(33)35-2)15-21(14-19)29-25-22-16-23(17-9-5-3-6-10-17)36-26(22)31-24(30-25)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,29,30,31)