2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol

Systemtic Name: 2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol Openeye Name: 2-[[9-isopropyl-6-[[4-(2-pyridyl)phenyl]methylamino]purin-2-yl]amino]propane-1,3-diol CAS Name: 2-[[9-propan-2-yl-6-[[4-(2-pyridinyl)phenyl]methylamino]-2-purinyl]amino]propane-1,3-diol IUPAC Name: 2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol Traditional Name: 2-[[9-isopropyl-6-[[4-(2-pyridyl)benzyl]amino]purin-2-yl]amino]propane-1,3-diol Formula: C23H27N7O2 MolecularWeight: 433.50618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=N4)NC(CO)CO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=N4)NC(CO)CO

InChI

InChI=1S/C23H27N7O2/c1-15(2)30-14-26-20-21(28-23(29-22(20)30)27-18(12-31)13-32)25-11-16-6-8-17(9-7-16)19-5-3-4-10-24-19/h3-10,14-15,18,31-32H,11-13H2,1-2H3,(H2,25,27,28,29)