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

Systemtic Name: 5-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: 5-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]isophthalate Formula: C20H10BrN3O4S-2 MolecularWeight: 468.2801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC3=NC=NC(=C23)NC4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=CSC3=NC=NC(=C23)NC4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-])Br

InChI

InChI=1S/C20H12BrN3O4S/c21-13-3-1-10(2-4-13)15-8-29-18-16(15)17(22-9-23-18)24-14-6-11(19(25)26)5-12(7-14)20(27)28/h1-9H,(H,25,26)(H,27,28)(H,22,23,24)/p-2