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

Systemtic Name: dimethyl 5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H17N3O4S/c1-28-21(26)14-8-15(22(27)29-2)10-16(9-14)25-19-18-17(13-6-4-3-5-7-13)11-30-20(18)24-12-23-19/h3-12H,1-2H3,(H,23,24,25)