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

Systemtic Name: methyl 4-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C20H17N5O3/c1-27-16-9-7-15(8-10-16)25-19-17(11-23-25)18(21-12-22-19)24-14-5-3-13(4-6-14)20(26)28-2/h3-12H,1-2H3,(H,21,22,24)