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

Systemtic Name: ethyl 4-[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C

InChI

InChI=1S/C21H19N5O2/c1-3-28-21(27)15-7-9-16(10-8-15)25-19-18-12-24-26(20(18)23-13-22-19)17-6-4-5-14(2)11-17/h4-13H,3H2,1-2H3,(H,22,23,25)