4-[(3-chloranyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoic acid

Systemtic Name: 4-[(3-chloranyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoic acid Openeye Name: 4-[(3-chloro-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoic acid CAS Name: 4-[(3-chloro-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(3-chloro-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoic acid Traditional Name: 4-[(3-chloro-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoic acid Formula: C18H12ClN5O2 MolecularWeight: 365.77318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC=C3C(=N2)Cl)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC=C3C(=N2)Cl)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C18H12ClN5O2/c19-15-14-10-20-18(21-12-8-6-11(7-9-12)17(25)26)22-16(14)24(23-15)13-4-2-1-3-5-13/h1-10H,(H,25,26)(H,20,21,22)