6-butyl-8-(2-ethoxyphenyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one

Systemtic Name: 6-butyl-8-(2-ethoxyphenyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one Openeye Name: 6-butyl-8-(2-ethoxyphenyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one CAS Name: 6-butyl-8-(2-ethoxyphenyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one IUPAC Name: 6-butyl-8-(2-ethoxyphenyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one Traditional Name: 6-butyl-8-o-phenetyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NC(=NC2=C3NN=CN3C1=O)C4=CC=CC=C4OCC

Isomeric SMILES

CCCCN1C2=NC(=NC2=C3NN=CN3C1=O)C4=CC=CC=C4OCC

InChI

InChI=1S/C18H20N6O2/c1-3-5-10-23-16-14(17-22-19-11-24(17)18(23)25)20-15(21-16)12-8-6-7-9-13(12)26-4-2/h6-9,11,22H,3-5,10H2,1-2H3