propyl 4-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate

Systemtic Name: propyl 4-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: propyl 4-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-(4-bromophenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid propyl ester Formula: C23H20BrN3O2S MolecularWeight: 482.3928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrN3O2S/c1-3-12-29-23(28)16-6-10-18(11-7-16)27-21-20-19(15-4-8-17(24)9-5-15)14(2)30-22(20)26-13-25-21/h4-11,13H,3,12H2,1-2H3,(H,25,26,27)