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

Systemtic Name: 2-oxidanyl-5-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-hydroxy-5-[[5-(4-isopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[(5-p-cumenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S/c1-12(2)13-3-5-14(6-4-13)17-10-29-21-19(17)20(23-11-24-21)25-15-7-8-18(26)16(9-15)22(27)28/h3-12,26H,1-2H3,(H,27,28)(H,23,24,25)