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

Systemtic Name: [3-[6-(1H-indazol-5-ylamino)-2-morpholin-4-yl-pyrimidin-4-yl]phenyl] dihydrogen phosphate Openeye Name: [3-[6-(1H-indazol-5-ylamino)-2-morpholino-pyrimidin-4-yl]phenyl] dihydrogen phosphate CAS Name: [3-[6-(1H-indazol-5-ylamino)-2-(4-morpholinyl)-4-pyrimidinyl]phenyl] dihydrogen phosphate IUPAC Name: [3-[6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenyl] dihydrogen phosphate Traditional Name: [3-[6-(1H-indazol-5-ylamino)-2-morpholino-pyrimidin-4-yl]phenyl] dihydrogen phosphate Formula: C21H21N6O5P MolecularWeight: 468.402401

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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)OP(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21N6O5P/c28-33(29,30)32-17-3-1-2-14(11-17)19-12-20(25-21(24-19)27-6-8-31-9-7-27)23-16-4-5-18-15(10-16)13-22-26-18/h1-5,10-13H,6-9H2,(H,22,26)(H,23,24,25)(H2,28,29,30)