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

Systemtic Name: propyl 4-[(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2/c1-3-13-29-22(28)16-9-11-17(12-10-16)26-20-19-14-23-27(18-7-5-4-6-8-18)21(19)25-15(2)24-20/h4-12,14H,3,13H2,1-2H3,(H,24,25,26)