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

Systemtic Name: dimethyl 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-(4-chlorophenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H16ClN3O4S MolecularWeight: 453.89814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O4S/c1-29-21(27)13-7-14(22(28)30-2)9-16(8-13)26-19-18-17(10-31-20(18)25-11-24-19)12-3-5-15(23)6-4-12/h3-11H,1-2H3,(H,24,25,26)