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

Systemtic Name: 5-butyl-8-(phenylmethyl)-7H-[1,2,4]triazolo[5,1-f]purine Openeye Name: 8-benzyl-5-butyl-7H-[1,2,4]triazolo[5,1-f]purine CAS Name: 5-butyl-8-(phenylmethyl)-7H-[1,2,4]triazolo[5,1-f]purine IUPAC Name: 8-benzyl-5-butyl-7H-[1,2,4]triazolo[5,1-f]purine Traditional Name: 8-benzyl-5-butyl-7H-[1,2,4]triazolo[5,1-f]purine Formula: C17H18N6 MolecularWeight: 306.36502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=NC=NC2=C3N1NC(=N3)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC2=NC=NC2=C3N1NC(=N3)CC4=CC=CC=C4

InChI

InChI=1S/C17H18N6/c1-2-3-9-14-21-16-15(18-11-19-16)17-20-13(22-23(14)17)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,20,22)