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

Systemtic Name: 3-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-methyl-benzoic acid CAS Name: 3-[[5-(4-bromophenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-4-methylbenzoic acid Traditional Name: 3-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-methyl-benzoic acid Formula: C21H16BrN3O2S MolecularWeight: 454.33964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3O2S/c1-11-3-4-14(21(26)27)9-16(11)25-19-18-17(13-5-7-15(22)8-6-13)12(2)28-20(18)24-10-23-19/h3-10H,1-2H3,(H,26,27)(H,23,24,25)