2-[[5-chloranyl-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,3-diol

Systemtic Name: 2-[[5-chloranyl-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,3-diol Openeye Name: 2-[[5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,3-diol CAS Name: 2-[[5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-4-pyrimidinyl]amino]propane-1,3-diol IUPAC Name: 2-[[5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,3-diol Traditional Name: 2-[[5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,3-diol Formula: C21H25ClFN7O2 MolecularWeight: 461.920303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC2=NC(=C(C(=N2)NC(CO)CO)Cl)NC3=NNC(=C3)C4CC4

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)F)NC2=NC(=C(C(=N2)NC(CO)CO)Cl)NC3=NNC(=C3)C4CC4

InChI

InChI=1S/C21H25ClFN7O2/c1-11(12-4-6-14(23)7-5-12)24-21-27-19(25-15(9-31)10-32)18(22)20(28-21)26-17-8-16(29-30-17)13-2-3-13/h4-8,11,13,15,31-32H,2-3,9-10H2,1H3,(H4,24,25,26,27,28,29,30)/t11-/m0/s1