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

Systemtic Name: propyl 4-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C22H18BrN3O2S MolecularWeight: 468.36622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3O2S/c1-2-11-28-22(27)15-5-9-17(10-6-15)26-20-19-18(12-29-21(19)25-13-24-20)14-3-7-16(23)8-4-14/h3-10,12-13H,2,11H2,1H3,(H,24,25,26)