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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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