3-[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate

Systemtic Name: 3-[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 3-[[1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]benzoate IUPAC Name: 3-[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate Formula: C19H14N5O2- MolecularWeight: 344.34676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=CC(=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C19H15N5O2/c1-12-4-2-7-15(8-12)24-18-16(10-22-24)17(20-11-21-18)23-14-6-3-5-13(9-14)19(25)26/h2-11H,1H3,(H,25,26)(H,20,21,23)/p-1