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

Systemtic Name: methyl 4-[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[1-(m-tolyl)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=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)C(=O)OC

InChI

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