5-butyl-8-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[5,1-f]purine

Systemtic Name: 5-butyl-8-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[5,1-f]purine Openeye Name: 5-butyl-8-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[5,1-f]purine CAS Name: 5-butyl-8-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[5,1-f]purine IUPAC Name: 5-butyl-8-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[5,1-f]purine Traditional Name: 5-butyl-8-p-phenetyl-7H-[1,2,4]triazolo[5,1-f]purine Formula: C18H20N6O MolecularWeight: 336.391

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=NC=NC2=C3N1NC(=N3)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCCCC1=NC2=NC=NC2=C3N1NC(=N3)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C18H20N6O/c1-3-5-6-14-21-17-15(19-11-20-17)18-22-16(23-24(14)18)12-7-9-13(10-8-12)25-4-2/h7-11H,3-6H2,1-2H3,(H,22,23)