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

Systemtic Name: 5-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: 5-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-(4-bromophenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]isophthalate Formula: C21H12BrN3O4S-2 MolecularWeight: 482.30668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H14BrN3O4S/c1-10-16(11-2-4-14(22)5-3-11)17-18(23-9-24-19(17)30-10)25-15-7-12(20(26)27)6-13(8-15)21(28)29/h2-9H,1H3,(H,26,27)(H,28,29)(H,23,24,25)/p-2