[3-[6-(1H-indazol-5-ylamino)-2-morpholin-4-yl-pyrimidin-4-yl]phenyl] hydrogen carbonate

Systemtic Name: [3-[6-(1H-indazol-5-ylamino)-2-morpholin-4-yl-pyrimidin-4-yl]phenyl] hydrogen carbonate Openeye Name: [3-[6-(1H-indazol-5-ylamino)-2-morpholino-pyrimidin-4-yl]phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[6-(1H-indazol-5-ylamino)-2-(4-morpholinyl)-4-pyrimidinyl]phenyl] ester IUPAC Name: [3-[6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[6-(1H-indazol-5-ylamino)-2-morpholino-pyrimidin-4-yl]phenyl] ester Formula: C22H20N6O4 MolecularWeight: 432.432

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=CC(=N2)NC3=CC4=C(C=C3)NN=C4)C5=CC(=CC=C5)OC(=O)O

Isomeric SMILES

C1COCCN1C2=NC(=CC(=N2)NC3=CC4=C(C=C3)NN=C4)C5=CC(=CC=C5)OC(=O)O

InChI

InChI=1S/C22H20N6O4/c29-22(30)32-17-3-1-2-14(11-17)19-12-20(26-21(25-19)28-6-8-31-9-7-28)24-16-4-5-18-15(10-16)13-23-27-18/h1-5,10-13H,6-9H2,(H,23,27)(H,29,30)(H,24,25,26)