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

Systemtic Name: 5-butyl-8-(4-methylsulfanylphenyl)-7H-[1,2,4]triazolo[5,1-f]purine Openeye Name: 5-butyl-8-(4-methylsulfanylphenyl)-7H-[1,2,4]triazolo[5,1-f]purine CAS Name: 5-butyl-8-[4-(methylthio)phenyl]-7H-[1,2,4]triazolo[5,1-f]purine IUPAC Name: 5-butyl-8-(4-methylsulfanylphenyl)-7H-[1,2,4]triazolo[5,1-f]purine Traditional Name: 5-butyl-8-[4-(methylthio)phenyl]-7H-[1,2,4]triazolo[5,1-f]purine Formula: C17H18N6S MolecularWeight: 338.43002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6S/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,21,22)