ethyl 4-[(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate

Systemtic Name: ethyl 4-[(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 4-[(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-methyl-1-phenyl-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)15-9-11-16(12-10-15)25-19-18-13-22-26(17-7-5-4-6-8-17)20(18)24-14(2)23-19/h4-13H,3H2,1-2H3,(H,23,24,25)