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

Systemtic Name: 5-butyl-8-(4-propoxyphenyl)-7H-[1,2,4]triazolo[5,1-f]purine Openeye Name: 5-butyl-8-(4-propoxyphenyl)-7H-[1,2,4]triazolo[5,1-f]purine CAS Name: 5-butyl-8-(4-propoxyphenyl)-7H-[1,2,4]triazolo[5,1-f]purine IUPAC Name: 5-butyl-8-(4-propoxyphenyl)-7H-[1,2,4]triazolo[5,1-f]purine Traditional Name: 5-butyl-8-(4-propoxyphenyl)-7H-[1,2,4]triazolo[5,1-f]purine Formula: C19H22N6O MolecularWeight: 350.41758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O/c1-3-5-6-15-22-18-16(20-12-21-18)19-23-17(24-25(15)19)13-7-9-14(10-8-13)26-11-4-2/h7-10,12H,3-6,11H2,1-2H3,(H,23,24)