3-[6-(trifluoromethyl)purin-9-yl]propane-1,2-diol

Systemtic Name: 3-[6-(trifluoromethyl)purin-9-yl]propane-1,2-diol Openeye Name: 3-[6-(trifluoromethyl)purin-9-yl]propane-1,2-diol CAS Name: 3-[6-(trifluoromethyl)-9-purinyl]propane-1,2-diol IUPAC Name: 3-[6-(trifluoromethyl)purin-9-yl]propane-1,2-diol Traditional Name: 3-[6-(trifluoromethyl)purin-9-yl]propane-1,2-diol Formula: C9H9F3N4O2 MolecularWeight: 262.18857

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C2C(=N1)N(C=N2)CC(CO)O)C(F)(F)F

Isomeric SMILES

C1=NC(=C2C(=N1)N(C=N2)CC(CO)O)C(F)(F)F

InChI

InChI=1S/C9H9F3N4O2/c10-9(11,12)7-6-8(14-3-13-7)16(4-15-6)1-5(18)2-17/h3-5,17-18H,1-2H2