2-cyclopentyl-4-ethyl-6-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]purin-9-one

Systemtic Name: 2-cyclopentyl-4-ethyl-6-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]purin-9-one Openeye Name: 6-benzyl-2-cyclopentyl-4-ethyl-1H-[1,2,4]triazolo[1,5-a]purin-9-one CAS Name: 2-cyclopentyl-4-ethyl-6-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]purin-9-one IUPAC Name: 6-benzyl-2-cyclopentyl-4-ethyl-1H-[1,2,4]triazolo[1,5-a]purin-9-one Traditional Name: 6-benzyl-2-cyclopentyl-4-ethyl-1H-[1,2,4]triazolo[1,5-a]purin-9-one Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N3C1=NC(=N3)CC4=CC=CC=C4)NC(=N2)C5CCCC5

Isomeric SMILES

CCN1C2=C(C(=O)N3C1=NC(=N3)CC4=CC=CC=C4)NC(=N2)C5CCCC5

InChI

InChI=1S/C20H22N6O/c1-2-25-18-16(22-17(23-18)14-10-6-7-11-14)19(27)26-20(25)21-15(24-26)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3,(H,22,23)