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

Systemtic Name: 5-[[5-methyl-6-(2-methylpropoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: 5-[(6-isobutoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-methyl-6-[2-methylpropoxy(oxo)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[5-methyl-6-(2-methylpropoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(6-isobutoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]isophthalate Formula: C20H17N3O6S-2 MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O6S/c1-9(2)7-29-20(28)15-10(3)14-16(21-8-22-17(14)30-15)23-13-5-11(18(24)25)4-12(6-13)19(26)27/h4-6,8-9H,7H2,1-3H3,(H,24,25)(H,26,27)(H,21,22,23)/p-2