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

Systemtic Name: 5-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: 5-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-methyl-6-[oxo(phenethyloxy)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[(5-methyl-6-phenethyloxycarbonylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]isophthalate Formula: C24H17N3O6S-2 MolecularWeight: 475.47328

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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)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-])C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C24H19N3O6S/c1-13-18-20(27-17-10-15(22(28)29)9-16(11-17)23(30)31)25-12-26-21(18)34-19(13)24(32)33-8-7-14-5-3-2-4-6-14/h2-6,9-12H,7-8H2,1H3,(H,28,29)(H,30,31)(H,25,26,27)/p-2