3-[5-[(4-acetamidophenyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid

Systemtic Name: 3-[5-[(4-acetamidophenyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid Openeye Name: 3-[5-(4-acetamidoanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid CAS Name: 3-[5-(4-acetamidoanilino)-3-pyrazolo[1,5-a]pyrimidinyl]benzoic acid IUPAC Name: 3-[5-(4-acetamidoanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid Traditional Name: 3-[5-(4-acetamidoanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=NC3=C(C=NN3C=C2)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=NC3=C(C=NN3C=C2)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C21H17N5O3/c1-13(27)23-16-5-7-17(8-6-16)24-19-9-10-26-20(25-19)18(12-22-26)14-3-2-4-15(11-14)21(28)29/h2-12H,1H3,(H,23,27)(H,24,25)(H,28,29)