5-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: 5-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-yl)amino]isophthalate Formula: C23H17N3O5S-2 MolecularWeight: 447.46318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-])C

InChI

InChI=1S/C23H19N3O5S/c1-3-31-17-6-4-13(5-7-17)18-12(2)32-21-19(18)20(24-11-25-21)26-16-9-14(22(27)28)8-15(10-16)23(29)30/h4-11H,3H2,1-2H3,(H,27,28)(H,29,30)(H,24,25,26)/p-2