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

Systemtic Name: 2-methylpropyl 4-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C23H20BrN3O2S MolecularWeight: 482.3928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrN3O2S/c1-14(2)11-29-23(28)16-5-9-18(10-6-16)27-21-20-19(12-30-22(20)26-13-25-21)15-3-7-17(24)8-4-15/h3-10,12-14H,11H2,1-2H3,(H,25,26,27)