2-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]propane-1,2,3-triol

Systemtic Name: 2-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]propane-1,2,3-triol Openeye Name: 2-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]propane-1,2,3-triol CAS Name: 2-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethynyl]propane-1,2,3-triol IUPAC Name: 2-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]propane-1,2,3-triol Traditional Name: 2-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]propane-1,2,3-triol Formula: C17H16FN5O3 MolecularWeight: 357.339043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC(CO)(CO)O)N)N=C1C3=CC(=CC=C3)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC(CO)(CO)O)N)N=C1C3=CC(=CC=C3)F

InChI

InChI=1S/C17H16FN5O3/c1-23-15(10-3-2-4-11(18)7-10)22-13-14(19)20-12(21-16(13)23)5-6-17(26,8-24)9-25/h2-4,7,24-26H,8-9H2,1H3,(H2,19,20,21)