5-butyl-8-(3-methylphenyl)-7H-[1,2,4]triazolo[5,1-f]purine

Systemtic Name: 5-butyl-8-(3-methylphenyl)-7H-[1,2,4]triazolo[5,1-f]purine Openeye Name: 5-butyl-8-(m-tolyl)-7H-[1,2,4]triazolo[5,1-f]purine CAS Name: 5-butyl-8-(3-methylphenyl)-7H-[1,2,4]triazolo[5,1-f]purine IUPAC Name: 5-butyl-8-(3-methylphenyl)-7H-[1,2,4]triazolo[5,1-f]purine Traditional Name: 5-butyl-8-(m-tolyl)-7H-[1,2,4]triazolo[5,1-f]purine Formula: C17H18N6 MolecularWeight: 306.36502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6/c1-3-4-8-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)12-7-5-6-11(2)9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,21,22)