3-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[4-(benzothiophen-2-yl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[4-(benzothiophen-2-yl)pyrimidin-2-yl]amino]benzoic acid Formula: C19H13N3O2S MolecularWeight: 347.39042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C19H13N3O2S/c23-18(24)13-5-3-6-14(10-13)21-19-20-9-8-15(22-19)17-11-12-4-1-2-7-16(12)25-17/h1-11H,(H,23,24)(H,20,21,22)