5-butyl-8-phenyl-7H-[1,2,4]triazolo[5,1-f]purine

Systemtic Name: 5-butyl-8-phenyl-7H-[1,2,4]triazolo[5,1-f]purine Openeye Name: 5-butyl-8-phenyl-7H-[1,2,4]triazolo[5,1-f]purine CAS Name: 5-butyl-8-phenyl-7H-[1,2,4]triazolo[5,1-f]purine IUPAC Name: 5-butyl-8-phenyl-7H-[1,2,4]triazolo[5,1-f]purine Traditional Name: 5-butyl-8-phenyl-7H-[1,2,4]triazolo[5,1-f]purine Formula: C16H16N6 MolecularWeight: 292.33844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,20,21)