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

Systemtic Name: methyl 3-[(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 3-[(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate CAS Name: 3-[(6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C20H17N5O2/c1-13-22-18(24-15-8-6-7-14(11-15)20(26)27-2)17-12-21-25(19(17)23-13)16-9-4-3-5-10-16/h3-12H,1-2H3,(H,22,23,24)