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

Systemtic Name: 2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]pent-4-ynoic acid Openeye Name: 2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]pent-4-ynoic acid CAS Name: 2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-4-pentynoic acid IUPAC Name: 2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]pent-4-ynoic acid Traditional Name: 2-[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(CC#C)C(=O)O)N)N=C1C3=CC(=CC=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C17H14FN5O2/c1-3-5-11(17(24)25)14-21-13(19)12-16(22-14)23(2)15(20-12)9-6-4-7-10(18)8-9/h1,4,6-8,11H,5H2,2H3,(H,24,25)(H2,19,21,22)