5-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]pent-4-ynoic acid

Systemtic Name: 5-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]pent-4-ynoic acid Openeye Name: 5-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]pent-4-ynoic acid CAS Name: 5-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-4-pentynoic acid IUPAC Name: 5-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]pent-4-ynoic acid Traditional Name: 5-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]pent-4-ynoic acid Formula: C17H14FN5O2 MolecularWeight: 339.323763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14FN5O2/c1-23-16(10-5-4-6-11(18)9-10)22-14-15(19)20-12(21-17(14)23)7-2-3-8-13(24)25/h4-6,9H,3,8H2,1H3,(H,24,25)(H2,19,20,21)