7-cyclopentyl-4-ethyl-2-(phenoxymethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one

Systemtic Name: 7-cyclopentyl-4-ethyl-2-(phenoxymethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 7-cyclopentyl-4-ethyl-2-(phenoxymethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 7-cyclopentyl-4-ethyl-2-(phenoxymethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 7-cyclopentyl-4-ethyl-2-(phenoxymethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 7-cyclopentyl-4-ethyl-2-(phenoxymethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2)C3CCCC3)N4C1=NC(=N4)COC5=CC=CC=C5

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2)C3CCCC3)N4C1=NC(=N4)COC5=CC=CC=C5

InChI

InChI=1S/C20H22N6O2/c1-2-25-19(27)16-18(23-17(22-16)13-8-6-7-9-13)26-20(25)21-15(24-26)12-28-14-10-4-3-5-11-14/h3-5,10-11,13H,2,6-9,12H2,1H3,(H,22,23)