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

Systemtic Name: 5-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: 5-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(6-ethoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[(6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]isophthalate Formula: C18H13N3O6S-2 MolecularWeight: 399.37732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-])C

InChI

InChI=1S/C18H15N3O6S/c1-3-27-18(26)13-8(2)12-14(19-7-20-15(12)28-13)21-11-5-9(16(22)23)4-10(6-11)17(24)25/h4-7H,3H2,1-2H3,(H,22,23)(H,24,25)(H,19,20,21)/p-2