4-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-(4-isopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[(5-p-cumenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C22H19N3O2S MolecularWeight: 389.47016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H19N3O2S/c1-13(2)14-3-5-15(6-4-14)18-11-28-21-19(18)20(23-12-24-21)25-17-9-7-16(8-10-17)22(26)27/h3-13H,1-2H3,(H,26,27)(H,23,24,25)