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

Systemtic Name: 5-[[6-(2-methoxyethoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: 5-[[6-(2-methoxyethoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-[2-methoxyethoxy(oxo)methyl]-5-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[6-(2-methoxyethoxycarbonyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(2-methoxyethoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]isophthalate Formula: C19H15N3O7S-2 MolecularWeight: 429.4033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C19H17N3O7S/c1-9-13-15(22-12-6-10(17(23)24)5-11(7-12)18(25)26)20-8-21-16(13)30-14(9)19(27)29-4-3-28-2/h5-8H,3-4H2,1-2H3,(H,23,24)(H,25,26)(H,20,21,22)/p-2