6-ethoxy-N-(4-fluorophenyl)-9-pent-4-ynyl-purin-2-amine

Systemtic Name: 6-ethoxy-N-(4-fluorophenyl)-9-pent-4-ynyl-purin-2-amine Openeye Name: 6-ethoxy-N-(4-fluorophenyl)-9-pent-4-ynyl-purin-2-amine CAS Name: 6-ethoxy-N-(4-fluorophenyl)-9-pent-4-ynyl-2-purinamine IUPAC Name: 6-ethoxy-N-(4-fluorophenyl)-9-pent-4-ynylpurin-2-amine Traditional Name: (6-ethoxy-9-pent-4-ynyl-purin-2-yl)-(4-fluorophenyl)amine Formula: C18H18FN5O MolecularWeight: 339.366823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC2=C1N=CN2CCCC#C)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=NC(=NC2=C1N=CN2CCCC#C)NC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN5O/c1-3-5-6-11-24-12-20-15-16(24)22-18(23-17(15)25-4-2)21-14-9-7-13(19)8-10-14/h1,7-10,12H,4-6,11H2,2H3,(H,21,22,23)