methyl 5-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]-2-oxidanyl-benzoate

Systemtic Name: methyl 5-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-5-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzoate CAS Name: 2-hydroxy-5-[[1-(4-methoxyphenyl)-6-pyrazolo[3,4-d]pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzoate Traditional Name: 2-hydroxy-5-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzoic acid methyl ester Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=NC(=NC=C3C=N2)NC4=CC(=C(C=C4)O)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=NC(=NC=C3C=N2)NC4=CC(=C(C=C4)O)C(=O)OC

InChI

InChI=1S/C20H17N5O4/c1-28-15-6-4-14(5-7-15)25-18-12(11-22-25)10-21-20(24-18)23-13-3-8-17(26)16(9-13)19(27)29-2/h3-11,26H,1-2H3,(H,21,23,24)