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

Systemtic Name: 4-methyl-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]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-methyl-3-[(5-p-cumenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C23H21N3O2S/c1-13(2)15-6-8-16(9-7-15)18-11-29-22-20(18)21(24-12-25-22)26-19-10-17(23(27)28)5-4-14(19)3/h4-13H,1-3H3,(H,27,28)(H,24,25,26)