3-[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenoxy]propane-1,2-diol

Systemtic Name: 3-[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenoxy]propane-1,2-diol Openeye Name: 3-[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenoxy]propane-1,2-diol CAS Name: 3-[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]amino]phenoxy]propane-1,2-diol IUPAC Name: 3-[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenoxy]propane-1,2-diol Traditional Name: 3-[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenoxy]propane-1,2-diol Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1)NC2=NC(=NC=C2)NC3=CC(=CC=C3)OCC(CO)O

Isomeric SMILES

CC(C)(C)C1=CC(=NN1)NC2=NC(=NC=C2)NC3=CC(=CC=C3)OCC(CO)O

InChI

InChI=1S/C20H26N6O3/c1-20(2,3)16-10-18(26-25-16)23-17-7-8-21-19(24-17)22-13-5-4-6-15(9-13)29-12-14(28)11-27/h4-10,14,27-28H,11-12H2,1-3H3,(H3,21,22,23,24,25,26)