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

Systemtic Name: 4-methyl-3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-methyl-3-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-methyl-3-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-methyl-3-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=C(C=CC(=C4)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=C(C=CC(=C4)C(=O)O)C

InChI

InChI=1S/C21H17N3O2S/c1-12-3-6-14(7-4-12)16-10-27-20-18(16)19(22-11-23-20)24-17-9-15(21(25)26)8-5-13(17)2/h3-11H,1-2H3,(H,25,26)(H,22,23,24)