methyl 2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H14BrN3O2S MolecularWeight: 440.31306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H14BrN3O2S/c1-26-20(25)14-4-2-3-5-16(14)24-18-17-15(10-27-19(17)23-11-22-18)12-6-8-13(21)9-7-12/h2-11H,1H3,(H,22,23,24)