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

Systemtic Name: 4-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Formula: C20H15N3O2S MolecularWeight: 361.417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O2S/c1-12-2-4-13(5-3-12)16-10-26-19-17(16)18(21-11-22-19)23-15-8-6-14(7-9-15)20(24)25/h2-11H,1H3,(H,24,25)(H,21,22,23)