tert-butyl 3-[[4-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoate

Systemtic Name: tert-butyl 3-[[4-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoate Openeye Name: tert-butyl 3-[[4-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoate CAS Name: 3-[[4-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoate Traditional Name: 3-[[4-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoic acid tert-butyl ester Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=C(NN=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=C(NN=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H23N5O4/c1-25(2,3)34-23(31)16-5-4-6-17(11-16)28-24-26-10-9-19(29-24)18-13-27-30-22(18)15-7-8-20-21(12-15)33-14-32-20/h4-13H,14H2,1-3H3,(H,27,30)(H,26,28,29)