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

Systemtic Name: butyl 4-[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O2/c1-3-4-12-30-23(29)17-8-10-18(11-9-17)27-21-20-14-26-28(22(20)25-15-24-21)19-7-5-6-16(2)13-19/h5-11,13-15H,3-4,12H2,1-2H3,(H,24,25,27)